data_2j11_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 2j11 _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 ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -130.22 111.89 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.55 149.05 29.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.92 117.49 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.55 86.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.93 141.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.5 33.05 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.2 118.8 1.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -60.0 -37.65 80.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.94 -43.52 71.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.414 ' CD ' ' CZ ' ' A' ' 341' ' ' PHE . 2.7 mmt-85 -60.02 -53.29 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -57.93 -33.78 69.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.61 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.51 -41.9 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.386 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.2 mtm -65.24 -58.76 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.931 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' CD ' ' A' ' 337' ' ' ARG . 13.4 m-85 -60.47 -25.51 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.098 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -78.18 -43.87 27.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.496 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -30.37 69.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.421 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.4 -43.65 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -66.2 -40.45 90.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -74.33 -34.59 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -30.53 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.2 -29.8 57.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.73 -29.91 65.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.66 -35.23 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -36.18 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -40.18 89.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.51 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.8 151.64 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -111.76 152.82 17.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.85 134.81 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 87.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 24.0 mt -110.84 127.44 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -99.29 32.35 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -114.8 110.34 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -73.66 -50.64 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.5 tpp180 -59.12 -50.99 71.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' B' ' 342' ' ' ARG . 92.0 t80 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.465 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.65 -34.87 78.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -67.02 -58.2 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.264 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.9 m-85 -60.23 -26.45 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 2.5 mmt180 -69.74 -37.18 76.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -32.57 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -40.85 77.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.634 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -63.65 -42.41 98.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.83 -45.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.559 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.28 -29.37 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.736 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 10.8 tp -68.16 -38.96 82.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.747 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.98 -29.93 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.22 -34.25 74.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -63.16 -31.59 72.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -33.53 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.48 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -137.27 121.91 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.94 6.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.42 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 15.1 tp -100.42 113.14 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.46 85.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -93.02 139.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 31.05 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.63 120.45 3.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -64.34 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -55.65 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -58.34 -47.16 84.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 28.6 t80 -63.2 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -38.4 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.7 ttm -65.41 -56.07 14.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.307 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -59.42 -28.05 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -68.5 -43.39 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.32 -29.77 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.57 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -31.85 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.71 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -40.31 66.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.04 -36.44 72.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.63 -33.34 64.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.6 -31.17 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.67 -38.39 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -62.44 -39.89 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 -32.98 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.34 67.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' D' ' 328' ' ' PHE . 4.9 m-85 -130.92 125.74 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.39 118.02 4.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.12 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.03 123.64 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 23.4 mt -132.8 144.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 36.42 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.02 129.32 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -31.32 59.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.24 -49.07 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -59.16 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 47.3 t80 -60.58 -32.72 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.604 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.46 -38.92 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -64.55 -55.67 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.15 -25.17 63.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.021 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -45.52 57.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.649 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -71.83 -31.09 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.649 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.4 mt -75.07 -31.25 61.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.754 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.03 -39.92 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -71.15 -31.68 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.51 -36.87 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -67.15 -30.85 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.16 -38.52 85.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -60.16 -34.49 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.82 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.61 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -136.28 135.67 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.63 5.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -107.19 133.53 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -110.29 85.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.528 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.413 HD13 ' CE2' ' A' ' 341' ' ' PHE . 29.9 mm -75.23 152.98 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -129.71 75.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.05 133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -60.89 -45.92 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.85 -40.44 72.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.474 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -62.57 -55.7 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -61.13 -32.12 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.302 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.59 -36.11 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mtm -66.71 -60.07 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.474 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.83 -24.09 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -76.83 -40.99 45.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.26 -32.05 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.616 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -32.12 63.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.664 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -71.35 -40.09 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.23 -39.53 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.89 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.18 -31.63 64.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.72 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.67 -35.34 80.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -60.38 -33.14 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -34.27 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.56 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.773 0.321 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -143.34 114.03 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -73.19 145.83 36.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -131.6 138.27 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -85.34 82.63 1.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 26.0 mm -89.28 153.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -147.35 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.63 129.12 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -60.37 -65.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.25 -37.05 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.439 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 15.1 ttp180 -64.2 -57.41 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 15.2 t80 -64.14 -31.31 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.0 -32.32 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -68.75 -57.07 6.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.331 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 3.3 m-85 -60.88 -25.3 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -76.38 -45.76 30.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.539 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -68.27 -32.19 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.289 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.66 -44.94 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -62.89 -34.02 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.814 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.24 -44.4 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.649 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.15 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -35.33 65.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.02 -23.68 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.424 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -77.81 -33.42 52.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -31.02 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.1 -31.51 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.9 m-85 -135.64 151.02 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -97.89 138.54 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.409 ' HB2' ' CE2' ' D' ' 338' ' ' PHE . 1.4 tt -136.85 135.29 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.23 82.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -71.26 85.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -72.53 75.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.21 140.74 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.35 -56.04 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.04 -36.39 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.405 ' HB3' ' CE1' ' C' ' 341' ' ' PHE . 50.2 mmt-85 -60.85 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -54.62 -37.11 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.799 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.12 -43.11 91.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.343 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.9 mmm -66.07 -58.52 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.908 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 6.0 m-85 -61.33 -19.94 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.342 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -79.36 -39.88 31.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.585 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.95 -31.99 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.43 -36.01 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.728 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.97 -34.84 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.47 -42.58 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.95 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.24 -29.84 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.17 -31.36 68.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.25 -39.69 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -65.14 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.76 -32.51 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.71 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -97.68 126.6 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -74.68 135.78 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.77 128.46 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.32 100.15 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -98.64 137.96 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.49 77.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.53 125.72 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -65.04 -43.99 90.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.01 -43.49 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 6.4 ttm180 -60.59 -53.03 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.7 t80 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.598 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.08 -35.91 80.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.412 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mtm -66.0 -57.6 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.3 m-85 -60.87 -28.2 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -75.87 -44.35 41.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.604 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.41 -30.76 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -32.56 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.665 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.79 -41.86 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.2 -30.75 58.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.89 -28.08 36.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.997 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.9 mt -80.63 -29.87 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.12 -27.07 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.36 -35.23 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -72.57 -31.5 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.7 -31.21 57.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.14 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 26.9 m-85 -100.98 118.96 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.86 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.57 113.91 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.18 94.95 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 24.1 mt -110.01 127.28 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -107.66 30.8 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -122.12 110.78 1.67 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -33.3 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.999 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -73.98 -62.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -57.22 -40.01 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -66.66 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.63 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -53.07 52.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.414 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 3.7 m-85 -59.24 -30.23 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -70.64 -47.23 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.25 -30.69 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -36.15 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.12 -43.04 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.42 -35.07 73.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.51 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.04 -28.92 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.16 -28.15 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -50.03 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -28.78 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.29 -33.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.94 50.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -153.61 137.21 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.86 6.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.58 136.96 46.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -132.87 90.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -95.07 146.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -110.89 77.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.32 147.67 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.24 -52.97 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.17 -42.72 93.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 8.3 ttm-85 -61.49 -54.15 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.2 t80 -60.3 -30.82 69.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.88 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.15 -56.15 12.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.351 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 2.8 m-85 -62.61 -28.0 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 -74.48 -42.04 59.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.33 -32.18 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -32.79 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.63 -46.0 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.53 -31.1 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.99 -30.07 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.27 -40.58 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -68.54 -30.08 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.86 -31.26 70.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.01 -31.19 56.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.09 151.14 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.45 118.48 4.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 125.08 49.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.86 91.63 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 26.7 mm -91.9 149.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -142.86 34.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -153.89 141.95 8.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -71.9 -55.89 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.21 -44.23 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -59.88 -51.85 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.34 -33.4 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.81 -39.96 93.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.71 -55.48 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.418 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.5 -27.13 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -72.25 -44.7 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -31.39 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.437 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -72.39 -35.46 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.626 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -41.5 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -73.9 -34.43 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.98 -28.51 39.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.34 -19.29 33.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -85.25 -30.22 23.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.87 -26.82 54.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.937 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -74.13 -31.02 62.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.374 . . . . 0.0 110.797 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -66.76 -36.02 81.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.38 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -112.48 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.29 136.76 14.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -139.27 110.95 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.27 92.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.1 mm -75.8 126.71 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -100.48 36.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.59 136.33 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.36 -37.3 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -63.48 -56.46 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' D' ' 338' ' ' PHE . 27.6 t80 -60.27 -20.14 57.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.99 -41.17 62.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.278 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' D' ' 341' ' ' PHE . 2.1 ptm -69.98 -39.84 75.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 111.007 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.465 ' CE1' ' CG ' ' D' ' 340' ' ' MET . 2.7 m-85 -72.31 -28.93 63.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -74.51 -40.34 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.439 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.28 -32.04 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -42.96 62.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -73.04 -31.53 64.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.7 -30.83 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.989 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.81 -33.68 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.708 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.47 -29.21 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 -44.4 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -65.67 -29.18 69.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -36.59 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.09 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -113.43 125.99 54.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.7 116.9 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.42 ' HB2' ' CE2' ' B' ' 338' ' ' PHE . 18.8 tp -98.35 128.15 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.59 82.57 0.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.83 133.03 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -102.21 76.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.18 142.5 3.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -77.68 -33.29 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.24 -52.94 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 2.8 ttm180 -58.55 -49.7 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CD2' HD11 ' B' ' 330' ' ' LEU . 22.0 t80 -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.78 -38.5 90.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -65.6 -56.27 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.9 m-85 -61.34 -28.02 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -72.31 -42.28 65.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.567 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.0 -30.23 62.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.81 -33.15 62.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -41.78 63.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.759 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.1 -31.61 69.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.37 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -30.14 67.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.735 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.3 -27.67 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -39.26 41.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -28.55 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.51 -30.95 63.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.55 75.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 4.0 m-85 -136.17 138.74 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.84 128.55 9.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -109.31 141.29 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.66 103.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.51 138.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -126.82 31.28 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.17 134.18 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.71 -51.84 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.76 -37.56 84.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.417 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 10.0 ttm180 -63.06 -55.63 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 33.8 t80 -60.19 -31.97 70.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.89 -36.09 82.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.6 ttm -66.5 -57.09 8.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.325 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.2 m-85 -59.69 -25.78 65.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.89 -44.34 63.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.597 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -71.79 -31.95 67.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.569 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.03 -31.89 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.642 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.403 ' OD1' ' CE1' ' A' ' 341' ' ' PHE . 2.5 m120 -70.44 -41.97 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.78 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -32.73 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.29 -31.72 49.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.77 -28.92 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -76.2 -30.54 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.93 -37.04 64.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.54 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -31.57 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.55 -35.14 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.402 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 25.2 m-85 -111.5 135.99 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.03 83.21 1.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -74.44 118.01 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 115.65 5.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 24.9 mm -106.65 136.9 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -106.21 36.13 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -157.48 135.21 4.27 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.39 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.46 -53.72 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' C' ' 342' ' ' ARG . 38.5 t80 -62.54 -31.26 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.596 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -38.28 90.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.14 -56.66 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.4 m-85 -60.9 -25.7 66.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.813 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.419 ' HD3' ' CE2' ' C' ' 338' ' ' PHE . 9.9 tpt180 -71.5 -42.7 67.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.87 -31.61 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.17 -31.58 61.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.82 -39.21 69.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.95 -36.23 69.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.48 -32.12 64.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.27 -32.39 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -30.74 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.58 84.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.8 83.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -35.19 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.15 83.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 24.6 m-85 -146.09 144.12 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.43 141.8 15.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.36 116.52 15.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.07 100.68 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 30.4 mm -91.31 104.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 74.81 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.64 141.23 3.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -75.24 -36.99 61.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -48.81 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.425 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 8.9 ttm180 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 24.4 t80 -61.0 -34.49 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.42 -37.06 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.5 ttp -65.27 -57.91 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.368 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.4 m-85 -59.36 -27.34 65.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -70.71 -42.27 70.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -74.9 -30.67 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.68 -30.57 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.693 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.88 -40.5 63.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.704 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -34.65 65.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.737 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.84 -30.47 58.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.987 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -30.98 59.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.06 -29.18 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.49 -44.07 65.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -64.21 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.36 -31.47 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.25 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.7 m-85 -105.9 144.92 31.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.41 122.77 5.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.45 110.97 11.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.14 100.12 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.55 112.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -85.82 77.05 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.34 126.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.41 -46.68 75.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.56 -45.7 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -51.88 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' B' ' 330' ' ' LEU . 17.4 t80 -59.98 -32.88 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.0 -38.83 90.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.414 ' HE1' ' CE1' ' A' ' 341' ' ' PHE . 50.7 ttp -65.56 -56.96 9.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.383 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -62.25 -26.75 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -77.08 -42.24 38.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.583 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -72.67 -31.63 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -35.16 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.517 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.84 -43.24 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.71 -29.74 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.29 -29.31 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.52 -34.63 58.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.4 -29.46 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -36.16 73.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -66.97 -31.16 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.44 -31.57 72.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.37 93.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.404 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 41.8 m-85 -108.44 137.86 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.96 127.66 8.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 338' ' ' PHE . 1.0 OUTLIER -127.55 105.71 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.66 106.04 3.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.12 132.8 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.68 31.06 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.3 135.36 7.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -70.28 -49.92 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.95 -47.5 77.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -59.65 -51.89 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 20.3 t80 -60.32 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.45 -39.5 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.34 -56.51 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.323 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.422 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -62.18 -27.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -76.31 -43.07 42.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.587 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -31.44 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.6 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.47 -43.39 66.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.71 -31.96 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.59 64.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.991 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.86 -40.09 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.49 -43.09 57.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.04 -30.12 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.99 -31.08 56.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.36 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -117.35 141.06 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.65 114.4 4.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.442 ' CD1' ' CZ ' ' D' ' 338' ' ' PHE . 14.0 tp -106.78 124.76 50.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.93 91.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -95.0 129.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 34.31 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.33 140.53 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -77.8 -49.36 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.26 -47.21 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -59.44 -50.29 74.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' D' ' 330' ' ' LEU . 17.1 t80 -60.41 -33.07 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.625 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -55.0 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.88 -27.91 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.71 -44.69 66.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.598 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.34 -30.51 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.689 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -71.67 -39.47 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.11 -38.72 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.23 -33.32 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -29.5 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -70.15 -30.84 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.34 -38.56 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -33.2 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -34.48 75.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.29 -31.71 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.408 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 24.9 m-85 -138.63 150.74 46.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -102.41 137.07 13.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.563 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' C' ' 338' ' ' PHE . 0.8 OUTLIER -132.64 131.8 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.5 100.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.98 117.58 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -93.11 74.93 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 142.53 5.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -77.38 -46.77 21.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.86 -40.48 72.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 7.2 ttm180 -61.3 -53.89 51.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.72 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CZ ' ' CD1' ' C' ' 330' ' ' LEU . 27.8 t80 -60.13 -36.54 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.33 -36.44 77.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttm -65.58 -56.76 10.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.61 -26.06 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -45.13 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.601 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.63 -30.7 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -35.47 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.6 -42.97 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.738 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.22 -33.76 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.29 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.53 -37.41 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.736 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.7 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.1 -42.98 99.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -30.61 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -32.16 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.28 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.418 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 29.9 m-85 -151.47 127.37 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.07 121.7 6.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.1 129.04 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.59 99.78 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.29 137.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -109.81 32.94 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.13 146.41 17.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -78.1 -38.4 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.12 -48.11 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.405 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 7.3 ttm180 -59.66 -51.83 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.725 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 46.1 t80 -60.89 -32.34 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.27 -38.09 87.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.451 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 ttp -65.64 -57.67 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.405 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -61.12 -27.06 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -73.8 -43.17 59.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.487 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.08 -29.87 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.15 -30.92 60.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.636 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.02 -43.22 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.01 -30.53 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.81 -31.42 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.61 -34.05 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.731 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.92 -29.18 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -47.15 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -27.44 63.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -78.78 -30.22 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.68 -31.06 61.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.415 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 8.2 m-85 -127.06 130.75 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -109.91 138.17 14.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.405 HD11 ' CZ ' ' A' ' 338' ' ' PHE . 14.1 tp -128.7 140.61 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.18 91.06 0.65 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -97.16 122.11 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -94.84 48.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.93 136.13 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -75.35 -51.55 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.91 -45.05 79.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -61.48 -55.51 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' HA ' ' CD2' ' B' ' 341' ' ' PHE . 32.2 t80 -60.96 -26.72 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.462 ' HA ' ' HG2' ' B' ' 342' ' ' ARG . 22.2 mt-10 -67.8 -35.32 78.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -70.95 -44.75 65.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' B' ' 338' ' ' PHE . 2.5 m-85 -64.13 -34.92 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' B' ' 339' ' ' GLU . 2.8 ptp180 -73.26 -34.41 65.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.781 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.58 -33.75 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 5.3 tp -75.15 -30.95 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.695 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -74.63 -38.31 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.696 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -71.66 -36.1 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.23 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -31.24 67.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.53 -30.38 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.9 -38.14 89.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -59.33 -32.23 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.12 -46.19 74.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.39 72.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.32 146.78 48.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.33 112.58 3.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.52 129.64 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.76 82.54 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -91.23 124.02 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -103.18 30.9 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.73 139.69 11.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -77.07 -44.4 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.38 -46.63 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -58.47 -50.22 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' D' ' 330' ' ' LEU . 20.4 t80 -59.99 -39.86 87.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.536 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.67 -36.36 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.62 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -56.65 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.09 -25.96 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -45.56 47.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.584 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -71.13 -32.64 69.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.1 mt -72.82 -30.08 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.27 -43.15 67.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.719 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.78 -32.53 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.96 -32.41 59.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.35 -31.8 64.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.1 -34.33 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -66.72 -32.23 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.3 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.99 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -142.34 118.61 10.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.35 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 0.4 OUTLIER -109.13 138.45 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.39 108.92 3.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.469 HG22 HD11 ' D' ' 332' ' ' ILE . 25.9 mm -106.69 125.18 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 34.07 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.93 140.89 9.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -77.96 -37.27 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -47.29 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 ttm105 -60.39 -50.83 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.771 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -61.31 -32.54 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.33 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -55.5 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.394 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.2 -28.13 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -70.94 -44.13 66.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -29.85 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.498 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -31.32 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.698 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -72.7 -41.88 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -35.1 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.96 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.4 -37.26 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.15 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.97 -48.21 54.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -67.83 -30.07 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.59 -31.06 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.76 70.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -135.97 146.82 47.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.65 135.02 13.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' B' ' 338' ' ' PHE . 19.6 tp -129.49 142.47 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -122.08 83.54 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.2 132.08 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -94.68 93.8 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.17 139.45 2.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -77.55 -38.34 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.89 -48.7 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.407 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttm180 -59.83 -52.03 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 16.4 t80 -62.7 -31.62 72.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.27 -35.67 81.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -66.87 -54.95 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.409 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 4.0 m-85 -60.35 -28.51 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.04 -45.6 56.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.668 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.57 -31.2 69.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.549 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.56 -33.82 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -68.79 -45.61 70.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -69.07 -37.46 78.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.28 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -30.95 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -67.57 -30.73 70.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.79 -49.02 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -60.88 -31.99 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.89 -42.98 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.04 67.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -135.02 141.61 46.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.63 141.42 17.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 33.9 tp -142.67 142.47 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.14 93.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 25.3 mm -89.15 112.58 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -82.63 77.08 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.07 135.84 1.89 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -73.64 -37.2 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.37 -48.97 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -58.97 -50.71 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.719 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.404 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 17.1 t80 -60.52 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.69 -38.11 86.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.38 -57.8 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.4 m-85 -60.63 -28.04 68.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -76.14 -45.66 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.9 -31.12 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.96 -36.09 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.629 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.75 -43.41 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.16 -31.6 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.89 -31.46 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.89 -31.54 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -71.22 -30.53 66.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -38.25 83.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -62.93 -39.88 95.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.69 -31.55 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.58 -31.95 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 69.2 m-85 -128.28 152.63 47.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.92 140.49 11.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' D' ' 338' ' ' PHE . 1.3 pt? -135.49 152.79 51.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.4 90.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.404 HD12 ' CD1' ' C' ' 338' ' ' PHE . 2.7 mp -81.29 128.98 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -98.38 35.15 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.86 126.74 3.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -64.05 -47.42 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.55 -39.66 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.85 -54.17 45.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.767 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 14.1 t80 -59.55 -32.78 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.676 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.16 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -66.81 -55.4 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.425 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.7 m-85 -62.72 -27.33 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -76.63 -44.13 35.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.45 -31.86 70.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.438 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 4.6 mp -71.93 -43.02 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.392 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.13 -35.54 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -66.86 -51.63 53.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.626 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.712 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.33 -41.73 89.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.768 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.0 -31.42 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.59 -41.69 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -67.45 -30.69 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.99 -31.64 70.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -31.39 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 19.3 m-85 -108.56 150.9 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.92 116.65 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.28 134.5 43.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.82 85.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.0 mm -82.85 151.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 42.31 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -161.58 149.32 17.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -78.55 -56.14 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -46.04 90.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.46 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.9 tpt180 -60.36 -53.25 59.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 32.9 t80 -62.71 -32.66 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.402 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.94 -36.14 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtm -65.6 -56.34 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.367 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 6.0 m-85 -58.55 -26.36 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -46.16 54.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.643 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.67 -30.26 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.76 -32.79 68.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.746 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.49 -44.39 67.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.13 -34.96 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.74 -30.96 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.87 -29.93 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.15 -29.61 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.47 -39.23 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -60.67 -41.35 94.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.5 -31.5 69.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.51 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.9 m-85 -126.66 120.97 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -76.51 132.84 12.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -128.14 124.31 36.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.63 83.01 1.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -76.92 150.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -129.8 77.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.89 135.14 1.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -69.84 -42.39 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -72.11 -43.95 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -61.0 -53.41 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.44 ' CZ ' ' CD1' ' B' ' 330' ' ' LEU . 18.7 t80 -60.77 -31.39 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.2 -37.16 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -66.64 -55.46 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.15 -26.94 68.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -72.94 -41.26 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.595 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.7 -31.28 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.702 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -73.27 -37.89 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.12 -31.7 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.54 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.79 -36.04 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -71.73 -29.94 65.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -33.7 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -65.56 -38.78 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.18 -33.32 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.15 63.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -139.29 131.26 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -78.07 142.36 26.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 338' ' ' PHE . 13.8 tp -138.92 111.7 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.94 85.03 0.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.446 HD11 HG22 ' B' ' 332' ' ' ILE . 29.2 mm -86.89 127.19 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.6 71.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.73 129.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.4 -42.68 78.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -74.33 -51.09 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -58.32 -49.47 77.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.759 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 35.1 t80 -61.56 -35.12 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttm -64.55 -54.62 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.43 -28.18 66.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -46.44 51.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.0 -31.4 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 12.1 mt -73.39 -31.3 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.661 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -71.03 -41.92 70.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.77 -31.62 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.735 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.27 -37.32 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.26 -36.35 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.11 -28.72 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.15 -42.58 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -30.98 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.11 69.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -134.52 152.78 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.11 124.01 7.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.406 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -118.06 134.53 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.48 99.51 1.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.551 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.69 131.86 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -101.59 86.97 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.1 134.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -72.22 -47.37 51.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -70.95 -42.0 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -62.04 -54.81 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.74 -32.51 72.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.342 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.02 -35.73 81.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.198 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.86 -60.04 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.482 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.9 m-85 -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -73.39 -44.47 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.75 -32.65 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -36.1 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.62 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -65.93 -45.83 80.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.97 -31.88 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.73 -31.4 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.76 -32.46 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -70.49 -30.77 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -36.49 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -64.67 -34.38 78.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.67 -32.61 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.439 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 3.9 m-85 -130.26 152.33 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.15 145.84 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.3 tp -128.93 140.39 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.01 102.18 2.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.64 131.64 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -111.41 36.87 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.02 128.15 2.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.38 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.25 -40.4 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -62.49 -55.66 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.406 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.2 t80 -62.24 -33.15 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -62.95 -34.06 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.169 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -67.03 -60.71 2.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.187 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.1 m-85 -62.47 -25.09 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -76.26 -39.03 55.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.517 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -74.87 -31.17 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -33.87 65.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.61 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -70.79 -41.98 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.763 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.3 -36.7 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.28 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.2 -37.98 75.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.82 -30.51 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -65.62 -41.32 92.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -34.89 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.5 m-85 -82.17 117.08 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.07 155.48 24.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.02 136.74 21.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -93.72 94.9 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 30.5 mm -77.79 149.68 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -129.66 79.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.0 128.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -60.46 -37.82 82.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -73.21 -47.91 39.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 4.9 ttm180 -59.85 -52.09 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 68.0 t80 -61.12 -31.72 71.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.534 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.486 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.96 -56.55 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.307 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -60.99 -27.01 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -75.04 -44.76 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.81 -30.82 64.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -31.62 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -71.65 -41.04 69.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.86 -26.45 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.97 -29.19 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -35.27 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.01 -24.61 55.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 mt -78.01 -35.07 50.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -72.57 -31.16 65.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.89 -31.79 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 24.1 m-85 -146.05 134.86 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.73 143.79 17.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.32 134.29 43.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.34 101.5 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.44 139.53 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -117.18 84.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.53 128.53 0.96 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -62.33 -35.7 79.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.25 -49.25 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.3 ttm180 -59.7 -51.94 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 32.1 t80 -61.73 -31.67 71.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.22 -37.61 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttm -66.45 -56.64 10.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.3 m-85 -62.39 -26.41 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.57 -42.26 59.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -31.38 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.12 -35.33 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.513 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.1 -41.87 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.34 -32.37 66.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.763 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.72 -33.16 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -30.51 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.49 -44.25 83.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -68.87 -31.41 70.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.94 -31.55 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.55 -31.34 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -107.55 123.34 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.57 148.73 21.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.6 OUTLIER -142.49 112.74 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -87.42 93.25 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -95.29 137.37 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.086 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -105.85 75.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.26 120.42 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -62.34 -37.69 86.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.55 -49.15 34.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -51.42 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -60.62 -32.22 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -62.45 -38.33 89.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttm -66.24 -57.55 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.265 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.39 -25.95 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.07 -46.23 21.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.39 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -31.15 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.148 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.5 -45.84 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.66 -39.18 79.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.683 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -71.74 -37.61 70.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.43 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -38.93 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.62 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 -44.76 90.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.53 -31.54 57.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.28 -33.19 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 61.9 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -149.51 142.81 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.15 118.15 5.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -101.16 131.19 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.33 88.81 0.84 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.99 114.01 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -96.56 40.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.08 140.37 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.79 -52.58 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.09 -47.65 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -59.64 -51.26 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.411 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.5 t80 -60.61 -32.22 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.15 -39.42 92.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.6 mtm -64.89 -56.55 12.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.368 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.99 -26.46 64.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -75.87 -49.21 18.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.393 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -66.56 -30.72 71.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.175 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.82 -45.9 70.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.406 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.77 -40.4 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.76 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -74.92 -32.95 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.87 -30.06 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.92 -30.77 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.739 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.57 -29.61 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.34 -43.48 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -64.25 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.91 -31.41 72.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.42 72.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.418 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.7 m-85 -106.82 140.04 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.88 9.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' B' ' 338' ' ' PHE . 0.7 OUTLIER -109.49 133.3 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.02 83.9 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.4 mm -84.85 138.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -115.3 35.53 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -149.64 136.66 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -34.13 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.95 -49.37 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 4.5 tpt180 -59.39 -51.12 71.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' B' ' 330' ' ' LEU . 51.1 t80 -62.97 -33.13 74.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.89 -37.43 86.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.304 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mmm -64.11 -57.76 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.3 m-85 -57.38 -27.72 62.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -67.11 -40.42 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.539 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -31.71 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.522 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.96 -34.94 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.587 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -44.38 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -30.99 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.19 60.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.33 -31.89 66.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.82 -29.85 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.53 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -60.25 -31.36 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.38 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.66 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -108.21 150.16 27.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 126.17 8.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.439 ' CD1' ' CE2' ' A' ' 338' ' ' PHE . 4.7 tp -107.29 117.36 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.71 114.0 4.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mp -125.38 134.52 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -98.45 34.43 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.98 137.24 8.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.0 -45.52 49.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.78 -49.73 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.8 ttm180 -58.9 -50.56 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 330' ' ' LEU . 42.7 t80 -61.47 -34.26 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.71 -38.35 87.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 27.5 ttm -64.92 -57.07 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.426 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 2.7 m-85 -62.73 -29.73 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -37.47 57.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.72 -36.43 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -40.85 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.475 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -61.44 -42.94 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -48.3 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.19 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.732 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.85 -40.48 87.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -29.73 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -41.57 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -64.08 -30.31 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.35 -33.11 75.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -136.58 136.1 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.86 127.84 8.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.415 ' HG ' ' CE2' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -100.03 132.06 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -113.07 89.0 0.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -95.64 149.69 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -126.22 77.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.81 148.0 5.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -73.38 -47.03 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.72 -36.46 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.3 OUTLIER -63.64 -56.07 18.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 16.4 t80 -60.51 -32.12 71.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.88 -36.26 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -59.2 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.224 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -62.52 -24.92 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -77.01 -40.88 44.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.498 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.86 -30.64 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -72.2 -42.85 65.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.61 -31.83 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.99 56.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mt -75.38 -31.53 60.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 -29.73 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -37.1 84.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -64.09 -34.88 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -67.88 -32.12 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.93 -33.48 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.415 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 16.0 m-85 -143.84 139.08 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.88 157.55 25.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.403 ' CD1' ' CZ ' ' C' ' 338' ' ' PHE . 0.9 OUTLIER -151.53 130.73 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.07 96.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.19 127.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -92.03 74.71 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.91 127.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -77.46 -33.93 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.55 -52.71 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -49.86 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.415 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 16.6 t80 -61.82 -32.47 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.73 -37.49 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -56.85 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.367 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.41 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.5 m-85 -62.09 -25.65 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -75.73 -42.07 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.8 -30.95 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -31.31 63.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.652 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.36 -42.87 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.93 -36.05 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.722 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.13 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.64 -31.29 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.54 -30.63 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.19 -41.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -66.17 -31.78 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -35.39 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.35 72.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -146.94 139.15 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.13 140.88 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' B' ' 338' ' ' PHE . 12.6 tp -135.3 124.28 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.83 82.36 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.76 143.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -117.24 73.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 142.36 4.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -76.01 -48.86 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.86 -43.31 72.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.3 ttp85 -61.91 -55.0 34.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' B' ' 330' ' ' LEU . 30.9 t80 -62.77 -31.18 72.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.89 -35.05 79.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.298 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttm -67.65 -58.23 5.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.245 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.06 -25.12 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -75.96 -41.87 50.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.51 -30.05 61.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.463 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.29 -30.76 62.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -73.46 -43.25 60.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -72.39 -31.5 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.95 -30.55 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -68.58 -30.25 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -63.21 -33.79 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -59.89 -43.68 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.92 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 15.2 m-85 -103.23 145.98 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -92.25 122.12 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.422 HD11 ' CZ ' ' A' ' 338' ' ' PHE . 16.8 tp -104.56 131.8 51.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.99 95.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.08 124.69 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.08 30.87 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.2 144.9 12.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -73.43 -49.29 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.24 99.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -62.19 -55.36 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.685 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.421 ' CZ ' HD11 ' A' ' 330' ' ' LEU . 26.1 t80 -60.27 -20.58 59.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.08 -40.58 62.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.207 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' B' ' 341' ' ' PHE . 1.8 ptm -69.79 -40.09 76.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.001 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' B' ' 340' ' ' MET . 3.0 m-85 -72.02 -28.97 63.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -75.48 -41.27 55.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 36.2 mt -73.8 -31.71 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.604 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.01 -31.93 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.85 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.74 -41.51 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.36 -31.58 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.99 -34.25 77.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -62.17 -31.46 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.06 -37.44 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.52 70.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -142.47 119.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.73 158.39 35.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.418 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -147.43 133.98 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -110.16 82.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.441 HD13 HG22 ' C' ' 332' ' ' ILE . 28.0 mm -76.32 132.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -98.81 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.96 141.27 11.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -78.03 -53.48 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.47 -43.91 92.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.7 -53.1 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.745 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.33 -32.57 71.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.2 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -55.24 19.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.375 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -58.75 -25.96 63.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.992 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.33 32.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.85 -31.27 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.45 -39.32 71.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.584 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -64.24 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.15 -37.01 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.68 -31.35 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.84 -27.19 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.12 -30.83 43.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.27 -32.87 59.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.53 -30.69 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -31.43 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.81 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -142.51 129.1 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -81.14 146.23 26.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.34 132.49 39.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.73 91.16 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -103.37 118.57 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -98.14 36.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.3 132.35 4.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -67.76 -51.36 50.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.434 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 1.1 tpp180 -63.67 -56.31 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.418 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.0 t80 -59.8 -31.42 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.66 -36.98 85.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.408 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.62 -57.46 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.8 m-85 -62.01 -25.87 67.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -73.91 -41.03 62.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -30.28 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -31.58 61.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.712 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -73.07 -40.71 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.4 -32.28 62.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -30.92 49.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mt -76.85 -29.62 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.73 -30.17 62.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.22 -36.66 77.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.68 -40.91 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.84 74.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.92 123.56 41.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.39 26.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -130.96 132.27 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.63 87.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.23 131.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 75.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.96 127.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -38.54 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -72.3 -44.49 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.5 ttm180 -60.67 -52.99 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 17.1 t80 -60.62 -31.94 71.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.16 -37.55 87.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.98 -56.77 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.298 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -60.57 -26.88 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -72.3 -43.0 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.48 -31.19 63.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.453 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.92 -43.81 67.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.21 -31.48 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.72 -30.63 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.07 -30.94 58.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -72.36 -31.42 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.06 -40.14 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -62.03 -31.21 71.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.36 -36.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.62 84.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 19.2 m-85 -107.75 144.79 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.25 146.26 16.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 338' ' ' PHE . 4.9 tt -138.16 145.26 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.49 82.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.77 119.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -97.11 77.21 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.5 141.72 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -77.53 -38.05 49.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -45.32 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.7 ttm180 -60.62 -53.1 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.776 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -61.14 -31.96 71.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.62 -37.03 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.533 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -56.35 10.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.364 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.2 m-85 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -74.77 -44.65 48.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.04 -33.85 70.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -72.33 -29.37 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.729 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -71.91 -42.58 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.17 -36.0 71.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.64 -31.37 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -30.45 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.49 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -33.76 74.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.2 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.52 123.56 50.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.16 122.78 7.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -106.26 126.8 52.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.78 95.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.06 133.88 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -100.37 71.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.19 134.25 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.27 -44.52 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.0 -47.05 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.417 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 11.2 ttm180 -60.12 -52.64 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.54 -31.9 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.73 -38.97 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.441 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -65.62 -58.19 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.189 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.6 m-85 -62.38 -27.16 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.41 -41.65 46.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.5 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.47 -31.32 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.493 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.63 -32.91 66.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.566 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.26 -44.03 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.84 -33.51 76.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.53 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.49 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.714 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -31.19 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.34 -38.74 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.2 -36.33 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -32.12 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.8 142.2 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.7 124.05 6.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -90.79 89.76 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -73.48 82.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 25.9 mm -104.67 126.58 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.91 32.07 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.05 130.41 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -36.79 83.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.37 -51.11 21.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -58.74 -48.7 80.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' C' ' 330' ' ' LEU . 16.3 t80 -61.19 -33.54 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -64.46 -55.54 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.42 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 4.6 m-85 -58.83 -28.0 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -73.95 -48.97 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.52 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.74 -31.67 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.251 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -69.85 -46.85 64.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.406 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.61 -38.45 87.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.49 -46.5 66.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.0 68.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.91 -37.24 75.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.71 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.46 -31.14 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.72 -39.65 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -59.81 -37.67 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.9 -40.85 96.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.13 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 56.7 m-85 -146.65 125.06 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.88 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' B' ' 338' ' ' PHE . 0.4 OUTLIER -108.22 142.46 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.07 115.22 4.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.88 112.89 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.24 73.0 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.25 145.78 7.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttp-105 -78.23 -56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.39 -39.95 92.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -55.8 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.668 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.99 -31.56 71.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.02 -37.17 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.9 ttm -65.58 -56.31 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.316 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.6 -26.04 60.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -47.75 60.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.455 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.52 -30.3 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.23 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.41 -43.76 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -41.48 97.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.51 -31.07 60.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.78 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.974 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.97 -28.65 43.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.8 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.91 -27.34 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.15 -39.01 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -27.36 67.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.72 -31.59 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.11 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -133.08 106.31 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.07 135.26 25.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.67 128.55 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.32 112.38 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.2 mp -110.15 138.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -106.48 31.04 5.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.18 144.54 12.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.92 -37.31 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -72.86 -46.19 54.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -59.57 -51.12 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 23.0 t80 -60.34 -35.09 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.618 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -61.24 -37.91 84.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.81 -56.2 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -58.62 -26.4 63.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -44.09 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.81 -31.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.93 -33.9 62.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.628 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -71.87 -39.13 69.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -27.11 47.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.98 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 11.9 mt -82.54 -25.47 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.17 -31.17 30.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.44 -27.71 41.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.796 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -78.83 -34.3 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.711 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.7 -30.82 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.35 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -126.15 123.82 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.86 135.73 14.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.78 131.62 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.83 100.94 1.94 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -113.22 149.37 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -129.52 76.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.07 124.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -60.82 -37.66 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.41 -46.06 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.426 ' HG2' ' CE2' ' C' ' 341' ' ' PHE . 6.6 ttm105 -60.13 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.613 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.275 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -59.84 -36.57 77.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.421 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -59.5 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.144 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.426 ' CE2' ' HG2' ' C' ' 337' ' ' ARG . 8.7 m-85 -58.02 -22.24 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.211 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -44.46 50.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.463 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -30.63 67.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.7 mt -72.31 -39.33 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.674 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.3 -39.47 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.81 -42.36 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.77 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.8 tp -74.34 -34.14 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.26 -29.91 67.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.89 -38.87 89.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -58.6 -31.7 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.16 -30.8 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.52 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -123.88 152.42 42.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -132.27 139.39 10.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.15 146.25 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.37 82.49 0.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.4 ' CG2' ' CD ' ' D' ' 337' ' ' ARG . 3.9 mp -84.46 119.74 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -100.94 72.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.7 123.41 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.86 91.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.161 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.56 -52.22 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.208 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.4 ' CD ' ' CG2' ' D' ' 332' ' ' ILE . 3.7 ptp180 -65.35 -39.82 92.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.719 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -69.84 -32.41 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.258 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -65.72 -56.85 9.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.78 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -77.37 -43.26 33.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.488 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.36 -30.51 66.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.35 -43.6 49.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.488 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.6 -32.95 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -74.01 -44.92 52.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.519 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.6 -27.5 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.21 -38.16 69.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.28 -46.47 80.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -60.24 -33.2 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -35.94 78.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.08 126.8 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.85 144.58 36.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' B' ' 338' ' ' PHE . 11.0 tp -146.51 137.79 24.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.23 82.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -86.57 130.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -103.68 83.25 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.07 125.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -60.54 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.91 -38.2 81.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 2.7 tpt180 -63.2 -56.24 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' B' ' 330' ' ' LEU . 15.5 t80 -62.13 -32.44 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.414 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.33 -33.9 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.327 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.4 mtp -67.99 -57.46 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.272 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 2.8 m-85 -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.692 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -76.59 -45.53 29.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.353 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -69.12 -31.79 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.6 -39.34 80.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.61 -46.09 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.84 -32.76 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.97 61.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.854 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.27 -34.77 70.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.64 -29.55 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.87 -35.11 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -68.21 -37.08 80.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -64.22 -32.53 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.05 -31.5 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.4 m-85 -125.13 151.06 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.77 154.81 16.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 338' ' ' PHE . 38.9 tp -152.89 149.63 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.98 82.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.4 115.82 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.156 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -96.1 77.4 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.54 140.53 2.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.64 -35.84 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -53.08 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -57.66 -49.06 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.452 ' CE2' ' CD ' ' B' ' 342' ' ' ARG . 74.9 t80 -61.44 -34.67 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.11 -37.26 84.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.1 ttp -66.33 -55.97 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 5.3 m-85 -61.37 -26.97 68.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CD ' ' CE2' ' B' ' 338' ' ' PHE . 5.3 mtp180 -73.45 -42.28 62.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.51 -33.2 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 341' ' ' PHE . 4.5 mt -71.53 -41.29 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.42 -39.07 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.97 80.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.722 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.26 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.767 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -57.74 -30.08 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.82 -36.49 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -66.95 -38.54 86.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -39.67 93.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.43 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 25.6 m-85 -142.65 147.19 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.95 134.28 11.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 22.8 tp -128.49 114.53 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.08 82.48 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.19 131.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.67 70.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.25 140.96 4.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -78.35 -39.92 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -48.25 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.8 -52.06 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.736 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.9 t80 -62.03 -32.18 72.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.91 -36.96 85.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mtp -66.65 -55.62 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.357 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.419 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.8 m-85 -62.1 -28.24 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -44.9 26.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 110.441 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.5 -30.41 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.262 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.38 -42.84 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.428 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.39 -36.28 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.11 -42.03 63.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.9 -25.51 43.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.736 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.0 -29.17 58.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.84 -45.22 52.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -30.63 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.8 -30.39 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.48 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 29.5 m-85 -148.15 142.36 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.96 116.48 5.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 17.9 tp -109.04 130.09 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.75 82.43 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -83.49 123.36 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 31.19 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.13 128.93 5.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.26 -47.1 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.9 -40.7 72.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CE1' ' D' ' 341' ' ' PHE . 0.5 OUTLIER -61.96 -55.27 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.4 t80 -60.08 -33.69 72.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.85 -37.48 84.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -64.87 -57.78 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 7.7 m-85 -58.07 -23.88 56.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -43.66 68.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.49 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -68.74 -31.59 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.71 -44.46 64.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.574 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.02 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -75.15 -36.27 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.14 -30.18 60.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.002 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.77 -31.84 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -74.14 -31.45 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -31.41 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.76 -34.85 79.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.34 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 11.8 m-85 -108.36 151.43 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.52 157.81 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.4 ' HG ' ' CE2' ' B' ' 338' ' ' PHE . 5.2 mp -140.94 152.04 44.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.21 82.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.411 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 332' ' ' ILE . 20.2 mm -80.4 141.58 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.337 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 30.65 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.64 144.0 9.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -30.85 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -54.29 20.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -48.87 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CD2' HD23 ' B' ' 330' ' ' LEU . 24.2 t80 -62.62 -31.95 72.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -37.46 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -57.01 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.77 -26.78 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -73.63 -44.96 55.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.525 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -72.13 -31.69 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -33.79 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.21 -43.48 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.98 -30.61 58.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.99 -33.81 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.76 -33.17 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -63.71 -34.62 78.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -41.88 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.23 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.766 0.317 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 61.7 m-85 -101.0 118.41 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.09 138.07 13.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 338' ' ' PHE . 1.2 pt? -145.72 149.4 34.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -131.73 113.0 1.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.24 152.32 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.27 38.1 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.33 143.18 14.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -55.27 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -59.65 -48.31 82.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.31 -53.06 62.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.651 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 16.3 t80 -63.79 -32.03 73.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.65 -35.86 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.0 ttp -67.46 -58.98 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -61.93 -23.68 66.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.9 32.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -32.44 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -31.64 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -40.81 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.691 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.72 -41.52 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.29 -31.29 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.06 -31.16 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.745 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.64 -31.51 71.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -37.68 81.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.64 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -68.11 -31.26 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.19 -45.8 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 6.3 m-85 -107.62 142.2 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.64 119.39 6.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' D' ' 338' ' ' PHE . 14.1 tp -97.82 114.6 26.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.75 84.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.4 HD11 ' CD2' ' C' ' 338' ' ' PHE . 4.6 mt -92.53 128.77 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -105.7 35.19 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -148.2 141.56 9.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -74.86 -39.57 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -72.22 -44.86 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.4 ' CD2' HD11 ' C' ' 332' ' ' ILE . 15.9 t80 -60.15 -33.99 72.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -37.36 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -57.38 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.336 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 4.7 m-85 -60.4 -26.99 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -76.32 -46.49 27.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.485 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.79 -31.75 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.75 -45.56 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.365 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -61.84 -39.91 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.77 -38.73 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.81 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.69 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.89 -43.44 75.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.12 -25.56 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.79 -34.65 71.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.744 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -62.67 -33.13 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.68 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -141.27 136.67 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.79 134.55 11.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.09 121.11 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.67 119.73 6.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.33 133.25 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.65 37.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.28 134.81 7.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -42.15 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.45 -46.43 32.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 1.5 tpp180 -60.62 -53.34 58.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 21.2 t80 -61.9 -32.52 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.28 -36.22 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.244 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.22 -60.59 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.75 -25.46 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -74.67 -41.49 60.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 110.581 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.92 -32.62 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.8 mp -70.62 -35.24 72.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.671 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.6 -43.21 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.16 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.03 -34.94 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.665 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -26.1 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -72.7 -32.97 66.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -76.86 -28.48 55.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -77.88 -31.75 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.58 -31.29 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -145.36 152.25 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.83 112.77 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' B' ' 338' ' ' PHE . 22.9 tp -95.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.11 86.88 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.449 HG22 HD11 ' A' ' 332' ' ' ILE . 23.9 mm -96.09 140.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.29 79.55 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.32 124.04 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.33 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.32 -42.81 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 3.0 tpp180 -60.93 -53.91 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' B' ' 330' ' ' LEU . 17.2 t80 -61.88 -35.7 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.386 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.47 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.366 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.411 ' HE1' ' CE2' ' A' ' 341' ' ' PHE . 23.6 ttp -66.31 -57.76 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.28 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.429 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.4 m-85 -58.99 -29.28 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.73 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.197 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.76 -28.79 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.232 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.32 -44.23 68.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.479 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -60.55 -39.97 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -67.39 -48.05 68.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.34 66.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 mp -74.24 -30.31 62.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.15 -30.4 67.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -40.81 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -59.8 -34.06 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.07 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -139.02 147.4 42.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.16 130.49 10.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 0.4 OUTLIER -112.5 103.4 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.41 82.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.94 140.09 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.085 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -115.96 66.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.63 135.71 3.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -75.62 -43.08 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.16 -41.5 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -61.95 -55.63 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.656 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' CD1' ' A' ' 330' ' ' LEU . 16.1 t80 -60.1 -32.94 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.339 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -36.09 79.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.233 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttp -66.76 -61.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.953 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 7.6 m-85 -60.75 -24.19 65.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.24 -29.59 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.8 -39.47 61.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -72.34 -36.34 68.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.51 -27.04 60.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.659 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.16 -40.9 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -28.99 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.611 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -35.47 80.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -61.28 -33.71 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.32 -45.96 91.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.415 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 26.1 m-85 -139.1 140.43 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.28 118.26 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.414 ' HB2' ' CE2' ' D' ' 338' ' ' PHE . 1.2 tt -101.67 133.34 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.86 91.18 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.07 132.5 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -116.01 31.08 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.25 142.6 11.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -53.5 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.5 -49.44 77.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -59.79 -47.14 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.407 ' CE1' HD21 ' D' ' 330' ' ' LEU . 30.9 t80 -61.85 -33.17 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.629 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.28 -41.09 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.621 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.77 -53.31 52.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.04 -29.0 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -69.13 -41.64 77.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.724 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -35.39 76.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.03 -39.37 79.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -63.6 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.17 -47.85 66.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.646 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.91 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 10.1 tp -71.31 -41.74 69.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 -28.76 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -31.37 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -66.6 -31.41 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.46 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -126.2 148.96 49.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -120.6 137.53 12.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' C' ' 338' ' ' PHE . 1.4 pt? -138.18 152.56 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -128.15 100.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 28.3 mm -91.67 138.81 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.11 31.61 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.6 122.4 3.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -52.59 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -46.07 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.1 OUTLIER -60.0 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.415 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 26.3 t80 -61.41 -34.28 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.48 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.24 -36.52 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.69 -57.27 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.341 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 8.3 m-85 -57.64 -26.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -47.62 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.63 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.83 -32.28 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.39 -35.66 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.627 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -66.0 -45.52 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.34 -31.36 62.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.2 -37.02 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -43.61 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.19 -33.35 75.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -31.15 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -146.33 146.24 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.0 130.55 10.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.419 ' HG ' ' CE2' ' B' ' 338' ' ' PHE . 14.3 mt -106.81 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.13 88.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.15 149.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -100.17 32.74 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.37 131.31 6.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -78.12 -36.49 47.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.82 -50.17 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttm180 -59.21 -51.38 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 18.1 t80 -61.69 -31.75 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.96 -38.19 90.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -65.76 -56.72 10.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.357 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.7 m-85 -60.61 -26.38 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -72.58 -43.25 63.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 -32.1 67.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.78 -32.75 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.587 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.41 -44.46 71.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.746 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.07 -38.17 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.13 -30.92 68.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -37.39 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.79 -31.06 70.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -46.4 55.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -68.78 -29.61 68.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.39 -31.34 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.6 m-85 -117.58 134.72 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.39 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.408 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -111.07 132.2 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.73 94.91 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -113.67 125.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -100.84 70.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.46 138.54 4.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -35.21 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -48.59 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -50.52 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.419 ' CE2' ' HG ' ' A' ' 330' ' ' LEU . 51.5 t80 -59.93 -34.94 73.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.35 -39.12 86.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.6 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -65.23 -56.29 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.357 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.416 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 2.9 m-85 -62.87 -28.84 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -77.85 -41.49 36.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.0 110.547 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.44 -31.03 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.73 -32.93 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.582 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.98 -42.23 69.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.721 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.61 -34.91 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.93 -30.69 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.22 -30.25 60.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -71.06 -30.99 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -34.52 76.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.7 -41.08 97.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.17 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 19.6 m-85 -110.72 143.54 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.8 107.29 2.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -94.54 138.78 32.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.57 83.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.34 127.36 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -100.11 31.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.63 131.34 5.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -77.19 -40.03 46.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -66.44 -58.42 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -57.79 -42.03 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.31 -33.74 76.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.66 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.18 -38.6 91.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 44.9 mtm -64.77 -53.37 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.403 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -59.37 -29.5 67.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -70.95 -47.21 60.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.647 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -34.96 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.619 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.4 -46.47 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.681 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -67.87 -36.13 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.698 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.17 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -39.21 76.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.779 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.46 -29.38 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -37.76 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -64.18 -35.47 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.26 -36.42 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.33 62.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -137.88 146.92 43.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.96 105.24 3.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -90.11 111.43 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.33 84.85 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.32 137.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.75 79.31 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.36 122.52 0.7 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.42 -46.71 89.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.8 -47.79 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.434 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.6 tpp180 -60.24 -52.88 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 23.0 t80 -62.25 -31.2 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -36.37 83.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 mtm -66.53 -56.75 9.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.407 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.434 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.0 m-85 -61.67 -27.27 68.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -74.09 -42.7 59.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.57 -32.17 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.661 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -43.52 69.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.722 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.39 -36.66 83.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.8 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.5 -33.33 75.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.21 -41.45 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -65.06 -31.74 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.2 -37.98 86.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -146.92 125.23 12.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.08 145.88 20.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 1.2 tt -128.32 139.58 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.96 90.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 24.5 mm -94.24 126.12 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.65 30.25 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.83 136.38 7.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -35.87 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.03 -47.28 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 8.4 ttm180 -60.18 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' B' ' 330' ' ' LEU . 17.6 t80 -60.49 -31.74 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -39.01 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.372 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -65.41 -58.28 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.253 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.423 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 4.3 m-85 -60.52 -25.1 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -72.03 -40.3 68.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.94 -31.64 63.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 10.1 mt -75.07 -31.33 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -73.28 -38.39 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.25 -33.92 63.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.14 -27.09 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.05 -31.9 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.0 -43.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -29.66 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.9 -30.66 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.06 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -105.27 150.26 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.74 119.49 5.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 338' ' ' PHE . 0.8 OUTLIER -106.35 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.49 5.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -127.18 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -99.53 31.23 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.64 125.04 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.39 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.48 -44.34 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -60.09 -52.01 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 16.9 t80 -59.37 -33.07 70.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.706 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.24 -39.76 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttp -65.18 -55.18 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.423 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -74.82 -44.52 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.555 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.11 -29.39 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.375 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -39.13 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -67.15 -35.78 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.528 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.14 -46.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.574 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.2 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.27 -36.49 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.723 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.66 -30.52 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.38 -46.39 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -63.26 -34.45 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -31.55 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.86 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 39.0 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 3.9 m-85 -109.49 144.39 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.55 111.82 3.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -96.26 129.62 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.51 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.92 153.22 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -122.94 44.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.15 146.84 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -65.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.5 -36.37 75.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.458 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.2 OUTLIER -63.34 -55.81 21.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 17.0 t80 -60.76 -33.58 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.412 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -35.4 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.267 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -66.87 -59.07 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.458 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.72 -26.87 67.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -74.48 -43.53 55.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.9 -29.84 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.326 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -33.93 64.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.569 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.69 -43.86 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.704 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.78 -31.39 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.12 -35.56 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.683 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.88 -30.66 71.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -30.76 71.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.78 -31.36 64.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.07 -34.13 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 13.3 m-85 -106.45 123.53 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.89 140.46 15.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -141.35 152.62 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.36 93.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mm -94.7 118.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -99.49 74.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.11 127.77 1.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -71.38 -47.88 53.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.0 -46.48 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -51.2 71.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 32.3 t80 -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.71 -38.73 86.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -64.54 -55.17 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.423 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.1 m-85 -59.68 -27.94 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.98 -45.61 49.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.57 -31.9 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -72.09 -32.39 66.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.89 -42.27 73.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -30.83 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.06 -34.65 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.44 -35.27 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.41 -28.09 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -41.2 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -30.74 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.57 -31.46 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.94 51.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -152.91 131.57 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.55 126.32 7.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.448 ' CD1' ' CZ ' ' B' ' 338' ' ' PHE . 17.4 tp -111.18 112.21 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -91.29 82.83 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.68 145.45 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -114.72 39.52 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.71 136.69 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -77.29 -33.47 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.62 -55.32 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -58.17 -42.67 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -63.9 -36.24 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.47 -38.57 87.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.618 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -53.68 44.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 2.8 m-85 -59.67 -29.78 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -71.06 -46.61 61.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -35.63 64.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.6 -38.41 80.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -68.21 -40.26 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.3 -42.68 83.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.14 -28.03 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.13 -48.54 57.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -62.85 -30.69 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.75 -33.67 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.56 -32.64 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -143.4 134.93 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.89 122.3 7.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.55 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.54 138.71 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.52 104.14 2.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -108.78 127.01 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -106.5 31.36 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.61 131.08 4.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -62.95 -54.96 30.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -64.37 -37.47 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.417 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -63.14 -55.91 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.729 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CZ ' ' CD1' ' A' ' 330' ' ' LEU . 16.6 t80 -60.6 -31.77 70.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.64 -36.08 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttm -66.95 -56.04 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -27.24 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.68 -45.64 51.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.51 -31.08 66.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.54 -32.99 66.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.533 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -69.28 -43.78 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.732 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.73 -32.26 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -31.38 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.74 -36.48 67.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -67.43 -31.27 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.5 -39.63 85.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -60.43 -31.26 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -63.94 -37.3 86.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.53 97.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -153.63 151.69 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -142.34 139.41 9.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 1.4 pt? -135.27 152.34 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.91 127.36 9.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.7 147.18 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -118.21 78.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.67 144.99 4.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -75.22 -46.98 30.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.63 -32.07 73.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -65.96 -59.75 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CZ ' ' CD1' ' D' ' 330' ' ' LEU . 16.6 t80 -62.44 -30.69 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.249 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.87 -33.1 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.195 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -68.15 -58.93 3.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.468 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -63.69 -26.39 68.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -77.05 -38.43 52.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.523 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.55 -31.23 57.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.557 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -73.31 -44.76 58.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.03 -34.13 68.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.42 -30.74 60.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 5.5 mt -72.84 -33.62 66.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -66.32 -30.9 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.77 -47.01 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.85 -31.62 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -31.5 66.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.41 -31.19 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -141.41 140.32 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.82 120.49 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.446 ' CD1' ' CZ ' ' C' ' 338' ' ' PHE . 19.9 tp -108.44 132.77 53.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -118.74 82.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.36 146.96 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -114.93 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.82 148.15 6.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -77.81 -63.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.94 -35.86 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 3.3 tpp180 -63.71 -56.61 14.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 330' ' ' LEU . 30.7 t80 -59.64 -32.46 70.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.312 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.26 -59.91 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.164 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 4.1 m-85 -62.3 -24.98 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -77.43 -37.49 51.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.54 -29.58 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.4 -32.12 58.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.669 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.12 -40.21 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.25 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.34 -31.23 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.96 -24.1 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -82.08 -32.86 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.58 -29.09 41.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -30.32 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.699 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.44 -29.69 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.89 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -121.88 109.55 14.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.55 142.04 15.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' B' ' 338' ' ' PHE . 1.4 pt? -136.35 141.21 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.91 106.15 2.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.64 137.21 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.94 123.48 2.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -67.69 -34.75 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -46.97 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -52.91 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.39 -32.28 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.6 -37.53 87.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.1 ttp -65.36 -55.32 18.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.01 -26.39 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -45.39 64.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.864 0.364 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.63 -30.32 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -39.67 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.67 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -71.26 -34.85 71.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.17 -36.27 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -33.49 63.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.0 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -71.15 -30.57 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.63 -35.79 81.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -31.87 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.4 -32.75 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.86 78.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -133.57 147.16 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.81 141.71 15.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.8 122.67 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.16 118.42 5.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.86 138.95 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.066 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -100.65 31.41 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.78 112.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -33.68 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.28 -52.08 15.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.6 ttm180 -58.23 -48.94 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CE2' HD23 ' A' ' 330' ' ' LEU . 16.5 t80 -61.53 -34.01 74.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.597 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.64 -38.17 86.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -57.08 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.342 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.9 m-85 -60.43 -26.93 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -71.73 -41.44 68.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.548 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -30.74 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.483 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -74.99 -31.99 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.688 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -73.34 -40.25 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.95 -31.94 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.8 mt -76.67 -28.65 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -30.33 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.22 -35.03 79.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -60.55 -33.83 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.44 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.82 94.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 18.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 16.7 m-85 -133.27 147.13 51.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.82 120.46 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.449 ' CD2' ' CZ ' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -101.05 110.18 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.98 117.41 5.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 18.0 mt -129.61 136.97 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -31.04 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -87.16 137.39 14.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -70.21 -38.17 75.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.66 -53.2 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' HD2' ' C' ' 342' ' ' ARG . 19.6 t80 -60.04 -31.54 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.83 -38.55 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -65.51 -56.85 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.5 m-85 -60.68 -27.05 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.773 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.414 ' HD2' ' CE1' ' C' ' 338' ' ' PHE . 1.7 tpm_? -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.542 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.39 -31.89 60.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.486 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.4 -32.63 60.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.54 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.57 -40.02 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.69 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.32 -38.04 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.694 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.51 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.57 -35.93 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.47 -31.37 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.2 -42.21 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -59.85 -34.52 73.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -64.17 -38.85 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -152.92 150.69 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.49 127.65 9.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.22 118.35 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.78 101.31 2.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.22 139.27 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.05 31.25 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.09 141.96 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -78.17 -36.56 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.46 -49.62 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.9 ttm105 -59.32 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CZ ' ' CD2' ' C' ' 330' ' ' LEU . 35.9 t80 -62.43 -33.46 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.3 -36.79 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -65.85 -55.55 16.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.4 m-85 -59.03 -25.61 63.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -45.26 63.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.599 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -71.2 -31.81 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.68 -30.98 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.47 -40.65 70.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.99 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.684 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.8 71.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.39 -41.64 80.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -24.54 60.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -75.21 -36.97 61.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -29.74 64.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.21 -33.21 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.86 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 20.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.0 m-85 -131.9 137.85 48.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.23 125.61 8.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -114.79 114.68 25.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.34 82.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.58 108.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 84.69 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.54 142.82 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -77.27 -36.14 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -48.02 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.4 ttm180 -59.54 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -61.23 -32.62 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.51 -37.87 87.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.486 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -57.02 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.324 179.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.5 m-85 -61.64 -26.63 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -72.17 -40.31 68.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.476 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.37 -31.26 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -75.46 -39.79 58.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.89 -30.68 64.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.727 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.46 -36.31 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.15 -31.69 66.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -69.61 -30.71 68.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.78 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.41 -43.06 86.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -60.99 -36.51 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.55 80.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -146.86 129.57 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.08 122.03 5.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 6.2 tp -106.1 100.97 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -88.51 116.15 4.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.62 120.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -79.25 -31.24 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -84.76 125.13 7.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -61.49 -47.21 86.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -59.74 -51.71 68.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.0 t80 -60.04 -33.62 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.67 -39.56 91.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -64.45 -55.38 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.2 m-85 -59.13 -25.58 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.002 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -41.75 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.584 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -74.99 -31.25 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 28.4 mt -76.26 -30.31 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.709 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -74.33 -38.02 63.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -74.83 -32.57 61.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.68 -31.16 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -32.61 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -30.32 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.46 75.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.13 -35.46 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.23 -31.72 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.947 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.36 141.79 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.81 121.35 6.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.409 HD13 ' CE1' ' D' ' 338' ' ' PHE . 1.0 OUTLIER -105.54 135.04 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.76 84.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.33 120.5 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.21 86.5 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.41 142.66 3.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.32 -60.93 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -60.2 -39.02 85.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.427 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 1.6 tpp180 -62.23 -54.57 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 15.7 t80 -60.35 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.343 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.22 -58.17 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.295 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.427 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 4.0 m-85 -60.59 -27.39 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -74.97 -44.97 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.515 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.74 -32.01 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.38 -45.99 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.68 -38.96 87.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.725 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.94 -31.87 71.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -38.72 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.682 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.54 -31.1 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.43 -41.33 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -58.51 -30.88 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.61 -31.5 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.35 -45.18 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.347 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.416 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.5 m-85 -116.74 146.7 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.65 126.3 8.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 32.2 tp -108.66 143.1 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.32 82.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.84 115.83 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.43 34.03 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.38 125.62 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.03 -36.02 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -73.4 -51.58 16.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -58.41 -49.86 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' C' ' 330' ' ' LEU . 19.7 t80 -61.42 -33.41 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.22 -37.72 86.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.451 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -56.68 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.42 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.3 m-85 -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.22 -42.67 71.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.82 -30.2 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.23 -36.49 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.654 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -39.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.12 -24.09 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -82.06 -33.35 29.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 pp -77.33 -31.0 54.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.805 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.35 -27.56 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.638 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -33.5 74.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -61.08 -33.38 73.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -61.76 -51.1 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -107.99 152.33 24.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.34 132.97 11.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.409 ' HB2' ' CE2' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -116.5 135.9 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.346 . . . . 0.0 110.904 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -92.66 82.55 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -93.59 112.77 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -92.24 80.24 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.85 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -32.92 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.66 -50.36 17.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 3.6 ttm105 -59.15 -51.48 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.734 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -61.86 -32.38 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.0 ttm -66.28 -56.65 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 5.3 m-85 -60.8 -27.73 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.693 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -74.77 -43.97 52.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 -32.03 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -40.49 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.592 179.757 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.64 -40.12 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.659 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.34 -45.09 89.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.62 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.14 -49.56 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.13 -30.61 71.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.41 -43.4 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -66.38 -30.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.17 -31.33 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.53 59.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -138.47 143.96 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.37 137.58 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.67 125.92 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.44 99.97 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.26 124.53 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -83.38 77.47 9.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 117.59 0.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -45.27 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.88 -49.28 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 1.5 tpp180 -59.41 -50.95 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.787 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 16.5 t80 -62.29 -33.08 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.453 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.44 -37.1 84.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.38 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.2 -58.27 6.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.261 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.435 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.0 m-85 -59.87 -28.02 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -73.51 -42.5 61.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.94 -31.35 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.0 mt -70.85 -34.69 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -44.89 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.12 -30.5 66.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.755 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.5 -34.31 58.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.29 -30.05 63.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.5 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -41.58 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -69.93 -29.24 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.9 -31.42 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.64 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -152.72 112.93 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.89 114.84 4.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.418 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -99.7 132.16 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.943 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.67 83.25 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -91.22 115.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -92.32 76.68 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.78 143.84 6.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -78.36 -48.49 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.22 -43.51 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.2 ttm180 -61.23 -53.79 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 16.4 t80 -61.26 -31.74 71.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.27 -36.14 83.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.8 mtp -67.4 -56.28 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.7 m-85 -62.88 -25.46 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -76.98 -41.69 41.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.59 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.01 -30.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.0 tp -75.42 -29.87 59.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -74.57 -40.9 61.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -34.54 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.94 -34.17 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.45 -29.98 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.72 -30.76 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.89 -37.01 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -58.19 -35.97 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.58 -41.09 89.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.3 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.418 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 9.8 m-85 -105.29 123.81 48.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.27 141.8 17.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.07 132.55 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.4 82.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -89.64 110.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -83.9 77.26 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.35 114.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.82 -37.47 82.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.45 -47.25 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -51.62 69.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.418 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 17.0 t80 -60.65 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.62 -37.76 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.11 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 179.507 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.414 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.57 -26.67 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -71.38 -44.9 64.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -29.52 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -36.9 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.628 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.07 -39.37 82.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.753 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.14 -39.01 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.12 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.49 -29.57 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.8 -31.13 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.89 -42.82 57.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -29.07 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.59 -31.2 52.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.09 62.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.979 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 13.8 m-85 -147.64 138.32 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.4 139.09 14.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.408 ' HB2' ' CE1' ' B' ' 338' ' ' PHE . 1.1 tt -128.4 127.02 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.63 82.14 0.84 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 25.4 mm -77.55 123.67 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 36.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.42 135.54 7.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -67.36 -66.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.27 -36.48 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 11.6 ttm180 -62.7 -55.25 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.95 -36.0 76.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.26 -35.42 77.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -66.4 -57.28 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.423 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.429 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.59 -27.54 68.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -41.16 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.38 -30.35 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -74.18 -32.27 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.75 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.48 -41.47 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.67 -32.0 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.769 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.69 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.09 -28.73 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.46 -29.56 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.781 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.24 -34.62 76.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -62.4 -31.44 72.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -31.47 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.06 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.949 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -113.11 142.0 46.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.05 115.9 4.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.16 135.56 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.41 86.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.93 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -124.29 74.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 159.5 146.52 4.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -76.7 -45.3 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -61.4 -45.91 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.85 -53.85 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 179.844 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 15.7 t80 -62.11 -31.82 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.404 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.29 -36.5 83.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.361 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -66.68 -58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.275 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 3.5 m-85 -63.22 -25.86 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -76.73 -38.51 54.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.562 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.3 -30.3 57.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.23 -30.93 60.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -74.6 -41.82 59.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.72 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.76 -31.78 68.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.29 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.56 -31.88 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.664 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -31.07 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.74 -45.08 87.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -32.78 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.999 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -125.74 142.62 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.3 123.16 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' D' ' 338' ' ' PHE . 3.4 tt -109.14 135.92 49.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.06 115.4 5.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.84 129.82 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -111.08 33.04 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.0 140.81 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -77.63 -41.64 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.49 -48.39 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 6.6 ttm180 -59.2 -50.82 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -60.53 -31.33 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.648 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -40.34 97.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 27.8 mtm -64.25 -54.28 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -58.75 -28.01 65.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -73.72 -49.79 23.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.557 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -30.97 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.471 179.543 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.36 -38.61 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.766 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.724 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.63 -30.23 61.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.26 -28.95 57.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.29 -29.53 62.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.37 -45.34 47.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -28.53 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.96 -30.99 44.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.45 -31.18 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.46 144.85 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.01 137.48 13.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.77 122.5 41.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.15 82.93 0.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -84.61 126.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 33.48 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.83 143.11 11.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -77.35 -42.56 36.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -51.81 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' C' ' 330' ' ' LEU . 17.1 t80 -59.3 -33.08 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -41.02 96.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 mtm -65.69 -55.98 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.288 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -63.24 -26.05 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -76.65 -42.28 42.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.562 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -31.98 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.26 -31.1 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.607 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.66 -43.22 66.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.47 -34.93 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.52 -29.47 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.17 -37.71 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.79 -28.3 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.81 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.43 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -74.26 -29.35 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.11 -30.71 55.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.77 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.9 m-85 -128.31 137.65 52.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.55 103.19 2.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.7 tp -88.87 123.49 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.33 3.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.37 153.57 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -134.63 50.61 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.46 19.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -60.61 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -37.73 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.401 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.3 OUTLIER -63.36 -56.83 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' CB ' ' B' ' 328' ' ' PHE . 23.0 t80 -60.83 -31.62 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.39 -36.82 83.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.4 mtm -66.25 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.022 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.401 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.8 m-85 -60.1 -23.73 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -73.35 -42.95 61.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.384 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.45 -32.04 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -33.68 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 179.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.406 ' OD1' ' CE1' ' B' ' 341' ' ' PHE . 10.2 m-20 -68.83 -43.28 75.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -72.72 -31.71 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.86 52.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.29 -30.08 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -72.72 -31.04 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.9 -36.72 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -61.45 -35.15 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -40.54 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.27 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.998 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.443 ' CB ' ' CD1' ' A' ' 338' ' ' PHE . 22.1 m-85 -110.71 145.46 37.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -133.72 144.39 16.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 338' ' ' PHE . 1.9 pt? -144.08 134.65 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.04 9.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.29 140.07 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -98.8 31.14 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.01 135.85 9.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -78.19 -38.77 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -72.01 -49.66 35.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -59.41 -52.24 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.728 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 40.0 t80 -61.78 -33.02 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -38.02 88.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.542 179.638 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -64.8 -55.84 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.25 -25.36 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.052 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -72.71 -31.05 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.714 179.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.39 -42.76 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.56 -31.38 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.65 -33.39 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.07 -31.35 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -34.4 77.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -61.67 -35.83 79.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.63 -38.66 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.85 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -105.97 97.68 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.26 153.49 26.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' D' ' 338' ' ' PHE . 1.5 pt? -157.96 152.59 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.23 84.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.79 126.5 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -94.0 147.24 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.26 136.53 6.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -75.06 -30.63 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.27 -49.16 36.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -51.63 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -62.25 -35.17 78.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.44 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.0 -35.48 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -65.95 -57.85 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.297 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.406 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 6.2 m-85 -59.07 -23.5 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.583 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.83 -29.72 61.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 89.2 mt -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.743 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -75.26 -42.68 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.03 -30.73 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.766 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.86 -30.95 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.84 -29.67 56.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -73.15 -30.82 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.23 -36.0 78.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.81 -36.92 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.79 -31.55 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.79 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -141.36 118.2 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.79 165.01 53.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.34 135.8 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -111.81 90.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -104.37 128.46 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -95.18 71.22 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.35 134.42 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -77.26 -31.65 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -71.21 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -58.24 -42.04 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.422 ' CE2' HD23 ' C' ' 330' ' ' LEU . 15.9 t80 -67.98 -30.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.404 ' HA ' ' CG ' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.1 mtp -73.45 -51.0 18.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.382 179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.406 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 2.0 m-85 -67.09 -29.45 69.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.41 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.404 ' CG ' ' HA ' ' D' ' 339' ' ' GLU . 4.2 ppt_? -83.27 -34.3 25.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.865 0.364 . . . . 0.0 110.387 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.89 -30.54 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.255 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.4 -37.21 57.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -70.09 -38.42 75.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.5 -42.22 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.42 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.768 179.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.3 -25.53 51.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -79.83 -35.21 38.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.82 -31.64 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -28.24 47.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.746 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.75 -30.61 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -153.22 152.59 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.33 143.09 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.444 ' CD2' ' CE1' ' B' ' 338' ' ' PHE . 1.1 pt? -136.45 151.71 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -121.45 86.48 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -74.68 144.82 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -98.61 34.25 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.35 119.97 1.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.46 -34.83 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -71.89 -49.33 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -50.9 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD22 ' B' ' 330' ' ' LEU . 17.4 t80 -60.39 -32.17 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -62.58 -40.08 95.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.0 mtm -66.06 -55.95 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.286 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.31 -25.69 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -73.69 -41.05 63.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.593 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -74.37 -31.77 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.51 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.61 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.679 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.406 ' OD1' ' CE2' ' B' ' 341' ' ' PHE . 3.5 m120 -71.43 -39.32 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.6 -35.9 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.21 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -30.83 58.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.2 -31.43 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.799 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.23 -33.81 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -61.63 -34.04 74.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.23 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.38 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.979 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 15.6 m-85 -122.89 147.64 46.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.63 133.42 6.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 338' ' ' PHE . 3.8 pp -135.2 149.11 49.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.14 157.12 20.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -143.49 135.74 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.62 34.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.75 129.74 2.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -69.91 -32.49 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.71 -47.02 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -59.79 -51.69 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.748 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 330' ' ' LEU . 17.5 t80 -60.43 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.647 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.86 -38.68 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.515 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -65.78 -55.95 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.413 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 345' ' ' ASN . 3.2 m-85 -61.22 -25.7 67.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -75.98 -45.78 33.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.54 -30.19 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.438 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.76 -31.0 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.618 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -44.04 64.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.74 179.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.48 -32.33 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.45 56.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.5 mt -75.05 -32.45 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.7 -30.63 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -36.47 80.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -64.57 -31.87 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.85 -35.84 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -35.31 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.956 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.328 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.405 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.3 m-85 -142.2 143.95 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.85 134.5 12.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -105.22 105.74 15.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.89 2.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 23.7 mt -132.1 148.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -105.53 36.41 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.51 131.86 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -77.42 -36.56 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.56 -54.81 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -57.83 -47.45 82.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.76 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 74.9 t80 -62.45 -34.66 77.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 179.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -60.91 -38.71 86.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.4 ttp -64.67 -55.99 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.8 m-85 -60.94 -28.9 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.02 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -75.65 -42.79 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -31.59 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -33.4 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.6 -42.97 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.41 -31.39 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.89 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.0 mt -75.86 -31.41 59.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.34 -30.72 65.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.9 -41.26 71.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -63.95 -31.42 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.15 -32.78 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.69 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 26.1 m-85 -109.39 147.93 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -114.92 142.27 17.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.95 137.46 47.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.1 82.5 0.37 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -86.96 117.74 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -94.91 76.83 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.94 133.76 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -71.09 -35.55 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.39 -49.69 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.92 72.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 50.5 t80 -60.67 -32.19 71.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.33 -39.11 91.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -56.92 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 2.9 m-85 -62.41 -26.97 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.761 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -76.54 -43.17 40.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.565 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -71.72 -31.67 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -35.0 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.93 -43.4 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.17 -31.17 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.21 -31.67 62.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.67 -38.37 67.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.3 -28.96 66.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.88 -43.78 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -70.35 -30.8 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.55 -31.44 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.35 67.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -137.7 122.39 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.57 116.05 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.37 122.43 46.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -87.73 133.64 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -116.44 77.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.07 140.22 3.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -73.62 -64.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -59.95 -36.28 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.9 ttm180 -63.86 -56.48 15.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 19.2 t80 -60.13 -31.07 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.04 -36.55 84.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.454 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.03 -57.35 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -63.02 -26.1 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -77.41 -41.91 38.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.45 -29.81 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -34.12 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.681 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -71.33 -39.36 71.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.88 -38.0 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.5 -31.75 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.88 -30.19 62.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.51 -30.55 68.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.799 179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.33 -39.87 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -59.55 -36.1 75.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.26 -38.76 92.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.75 -31.19 61.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 26.0 m-85 -104.89 152.42 22.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.49 110.63 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -101.16 128.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.26 95.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.21 126.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.0 31.96 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.7 129.27 4.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -68.05 -39.45 83.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -71.95 -48.15 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -59.13 -51.05 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -60.21 -33.18 71.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.82 -38.91 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.503 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.77 -56.52 13.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.5 m-85 -60.4 -28.46 68.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -72.61 -44.2 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.58 -31.07 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.423 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -36.41 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -68.34 -43.91 76.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.68 -37.55 67.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.21 -25.16 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.61 -35.01 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -72.13 -29.07 63.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.49 -31.75 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -64.83 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -41.53 97.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.1 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 28.8 m-85 -142.1 136.9 30.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -110.96 144.01 17.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.42 ' HB2' ' CZ ' ' D' ' 338' ' ' PHE . 6.4 tp -141.26 131.06 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.44 131.54 10.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.0 mp -132.84 144.61 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -108.65 38.26 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.36 11.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -78.18 -46.92 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.05 -41.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.419 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 13.2 ttp180 -62.48 -55.43 27.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -63.82 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.355 179.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -32.91 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.313 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -68.35 -57.65 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 179.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.8 m-85 -63.96 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -76.86 -37.44 55.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.67 -30.77 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.78 -32.54 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -73.87 -38.44 64.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.74 -31.74 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.4 -30.84 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mt -77.88 -30.26 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.756 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.75 -28.15 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.82 -40.25 65.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -65.66 -29.52 70.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.46 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.26 68.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -134.19 136.31 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.99 132.0 10.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.62 109.99 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.91 116.7 5.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.59 151.26 34.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.28 34.8 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.6 122.56 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.09 68.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.42 -48.83 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 7.6 ttm180 -59.54 -51.83 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' C' ' 330' ' ' LEU . 23.5 t80 -61.04 -31.61 71.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -63.36 -38.5 91.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttm -65.09 -55.72 17.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.362 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.422 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.1 m-85 -58.87 -28.01 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -74.27 -49.02 24.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.73 -30.45 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.357 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.88 -41.96 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.556 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.82 -40.52 95.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -72.54 -35.01 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.22 -32.05 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.08 -30.71 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.732 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -30.79 67.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.97 -35.95 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -35.86 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -40.02 89.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.16 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.993 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -126.68 136.18 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -77.72 146.45 31.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -131.81 141.0 49.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.52 82.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.7 mm -92.51 134.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.71 31.13 3.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.14 125.21 3.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.25 87.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -49.76 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.6 ttm180 -59.1 -50.8 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' B' ' 330' ' ' LEU . 33.8 t80 -61.16 -32.51 72.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.542 179.7 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.7 -39.33 93.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.31 -54.67 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -58.91 -27.57 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -45.2 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 179.781 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.79 -31.52 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.15 -31.97 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.648 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.48 -44.12 68.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.12 -31.04 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.12 -32.18 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.01 -35.51 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.45 -30.82 69.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.89 -41.98 81.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -60.21 -31.63 70.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -31.67 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.51 -39.22 62.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.954 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.407 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.3 m-85 -137.04 139.31 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.09 134.72 12.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 1.4 tt -130.53 139.07 50.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.39 90.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -89.14 125.75 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -98.03 75.84 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.94 129.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -32.75 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.13 -54.34 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.6 ttm180 -58.29 -46.97 85.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.26 -32.35 73.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.506 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttm -65.42 -54.99 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.459 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -74.6 -46.09 40.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -70.88 -31.81 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.62 -31.22 64.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.656 179.703 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -70.67 -43.33 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -70.35 -35.74 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.67 -30.54 64.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.956 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.24 -36.37 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.06 -30.22 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.59 -45.0 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -30.58 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -73.35 -31.28 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.39 -31.15 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -132.34 129.3 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.25 122.3 6.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 1.2 tt -102.74 111.91 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.35 82.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -89.97 136.1 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.325 . . . . 0.0 111.083 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -123.54 31.28 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.82 144.95 14.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -77.01 -47.18 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -65.64 -41.91 92.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.411 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.17 -53.65 54.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.779 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' D' ' 330' ' ' LEU . 18.9 t80 -59.59 -31.81 69.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.02 -38.82 92.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.503 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttm -65.04 -55.63 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.5 m-85 -60.56 -28.07 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.49 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.557 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -37.26 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -37.14 72.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.469 179.637 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -64.72 -35.75 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.643 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.51 -50.89 63.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.536 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.35 -29.12 70.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 tp -66.13 -39.99 90.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.07 -30.51 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -31.46 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.17 -32.0 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.47 -31.79 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.37 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.962 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -98.82 152.65 19.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -129.05 136.87 9.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.419 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 1.1 tt -126.85 123.93 38.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.15 87.55 0.84 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.15 131.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.31 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.16 138.6 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -76.43 -52.02 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -44.66 89.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.43 ' HD3' ' CZ ' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.44 -50.79 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' D' ' 342' ' ' ARG . 77.7 t80 -56.97 -37.26 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.09 -42.29 90.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.352 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mtm -64.61 -58.24 6.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.021 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HD3' ' D' ' 337' ' ' ARG . 6.2 m-85 -58.86 -22.65 59.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.468 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -74.56 -47.4 32.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.435 179.539 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.86 -31.46 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.66 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -46.22 67.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.46 -31.79 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.07 60.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.86 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.24 -30.87 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.03 -48.74 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -66.81 -29.65 69.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -72.78 -31.47 64.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.91 63.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.79 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -147.63 135.37 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.03 120.45 6.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' B' ' 338' ' ' PHE . 0.7 OUTLIER -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -114.78 101.44 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.85 146.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.91 77.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.73 3.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -76.96 -33.65 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -47.26 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.444 ' CE2' ' CG ' ' A' ' 342' ' ' ARG . 91.3 t80 -60.88 -31.63 71.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -37.17 86.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttm -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.278 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 -23.81 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.444 ' CG ' ' CE2' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -71.39 -41.71 69.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.542 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.29 -31.84 62.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -32.02 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.573 179.71 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -71.74 -39.89 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.42 -36.54 71.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.1 -33.26 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.89 -31.87 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.57 -31.35 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.6 -46.07 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -31.16 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.06 -39.02 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.978 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -121.94 136.46 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.28 149.57 16.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 338' ' ' PHE . 1.7 pp -143.57 150.01 38.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.72 114.98 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 332' ' ' ILE . 26.8 mm -112.86 123.14 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -98.83 33.06 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.3 138.51 7.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -76.81 -35.57 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.61 -47.54 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.2 ttm105 -59.76 -51.38 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.778 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 330' ' ' LEU . 15.8 t80 -62.25 -33.85 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.42 -36.12 82.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -56.52 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.1 m-85 -59.71 -25.72 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -76.34 -48.17 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.457 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.64 -31.76 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.402 ' CD1' ' CD2' ' C' ' 344' ' ' LEU . 2.7 mm? -71.62 -45.65 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.373 179.478 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -62.34 -35.03 77.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.705 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -42.37 61.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.06 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.03 -30.57 61.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.7 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.33 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.1 -33.89 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.87 -43.86 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -180.0 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 18.5 m-85 -133.76 151.84 51.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 139.37 14.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.1 tp -133.13 118.7 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.27 120.05 6.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.28 126.9 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.044 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -75.7 -31.17 59.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.1 130.91 22.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -76.12 -44.6 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.55 -51.84 63.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.438 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 1.6 tpp180 -58.53 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' D' ' 328' ' ' PHE . 52.5 t80 -62.27 -33.18 74.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.62 -36.55 83.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.347 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.2 ttm -65.45 -58.13 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.438 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.2 m-85 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -71.5 -42.09 68.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.98 -32.32 73.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.402 ' CD2' ' CD1' ' B' ' 344' ' ' LEU . 0.3 OUTLIER -67.66 -43.43 80.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.649 179.719 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.86 -47.37 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.99 -26.45 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.38 -43.8 72.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.2 -24.31 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.83 -38.86 57.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.22 -29.17 65.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.53 -39.84 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.23 -31.18 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.344 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' D' ' 328' ' ' PHE . 3.8 m-85 -129.08 142.46 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.41 133.8 12.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' C' ' 338' ' ' PHE . 11.8 tp -118.12 129.81 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.49 82.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.58 129.66 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.41 32.2 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.18 126.68 3.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.24 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.34 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -37.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 42.4 t80 -66.58 -40.09 88.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -59.94 -34.99 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -56.39 11.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.429 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.1 m-85 -61.51 -31.04 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.8 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -76.36 -43.09 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.5 -30.95 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.51 -38.84 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.51 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -64.09 -43.85 94.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.45 73.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.8 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 4.1 tp -68.1 -36.88 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.676 179.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -31.1 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -37.86 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.72 -31.35 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.31 -31.55 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.37 -31.13 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -135.88 133.2 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.38 133.03 11.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -133.82 140.18 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -126.83 126.95 5.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.83 132.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.25 -30.94 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -71.04 119.95 8.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -36.49 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.91 -48.19 72.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.08 -49.56 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.417 ' CE2' HD23 ' B' ' 330' ' ' LEU . 15.6 t80 -58.67 -35.69 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.75 -41.88 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.303 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mmm -64.8 -58.91 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.07 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HD3' ' A' ' 337' ' ' ARG . 6.3 m-85 -60.36 -25.09 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.525 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -78.12 -46.17 21.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.342 . . . . 0.0 110.451 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.07 -30.33 68.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.409 179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.62 -40.78 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.507 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -62.98 -41.35 99.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.748 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.19 -41.23 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.81 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 23.8 mt -71.35 -33.59 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.8 -30.64 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -63.6 -32.68 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -33.4 75.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.11 -30.48 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.1 m-85 -126.81 150.94 48.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.53 149.84 17.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.417 HD23 ' CE2' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -140.26 133.44 29.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.04 82.34 0.44 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 25.0 mm -83.09 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -105.16 30.91 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.58 133.43 6.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.78 52.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.05 -56.85 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -58.38 -42.51 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.798 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 330' ' ' LEU . 24.9 t80 -65.18 -35.56 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.671 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -62.44 -37.2 84.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -54.18 32.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.482 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.72 -28.82 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -47.36 61.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.73 -40.34 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.35 -40.84 98.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.76 -45.86 90.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.62 -30.82 70.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.55 -46.44 85.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.018 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.82 -43.56 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.747 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.0 -31.03 69.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.71 -31.86 59.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -72.29 -31.36 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.83 -31.45 70.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.91 -31.23 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -144.61 125.98 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.21 143.77 15.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 12.9 tp -133.75 132.88 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -93.84 82.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.475 HD11 HG22 ' C' ' 332' ' ' ILE . 24.4 mm -76.07 124.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.59 118.95 0.94 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -60.01 -39.87 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.78 -47.54 45.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -59.78 -50.92 71.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' D' ' 330' ' ' LEU . 16.1 t80 -60.96 -33.07 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.16 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.543 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.28 -54.17 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.17 -27.73 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -73.94 -46.56 43.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.32 -31.63 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.624 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.24 -30.83 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.37 -41.77 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.27 -39.35 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.41 -30.94 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -30.3 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.867 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.28 -29.71 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 mp -68.57 -47.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -61.46 -29.95 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.87 -40.28 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.03 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.936 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 98.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 27.4 m-85 -143.54 137.06 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.16 114.59 4.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 1.0 OUTLIER -98.42 134.48 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.8 116.08 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -98.98 31.27 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.05 121.34 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.71 -43.81 97.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -46.94 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.425 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 6.1 ttm180 -59.85 -52.44 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 16.9 t80 -60.68 -31.76 71.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.09 -37.58 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtm -66.26 -56.87 9.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.374 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.1 m-85 -61.45 -26.12 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -73.48 -42.33 62.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -73.16 -31.4 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -31.32 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -71.86 -42.1 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -72.22 -31.54 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.17 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.66 -34.05 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.76 -30.68 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.2 -38.42 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -62.39 -31.21 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.83 -35.0 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.19 62.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.335 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m -63.54 152.95 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -130.22 111.89 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.55 149.05 29.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.92 117.49 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.55 86.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.93 141.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.5 33.05 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.2 118.8 1.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -60.0 -37.65 80.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.94 -43.52 71.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.414 ' CD ' ' CZ ' ' A' ' 341' ' ' PHE . 2.7 mmt-85 -60.02 -53.29 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -57.93 -33.78 69.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.61 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.51 -41.9 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.386 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.2 mtm -65.24 -58.76 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.931 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' CD ' ' A' ' 337' ' ' ARG . 13.4 m-85 -60.47 -25.51 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.098 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -78.18 -43.87 27.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.496 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -30.37 69.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.421 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.4 -43.65 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -66.2 -40.45 90.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -74.33 -34.59 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -30.53 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.2 -29.8 57.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.73 -29.91 65.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.66 -35.23 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -36.18 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -40.18 89.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.51 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -76.76 -54.64 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.72 175.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.488 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 58.1 m -166.41 102.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.8 151.64 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -111.76 152.82 17.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.85 134.81 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 87.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 24.0 mt -110.84 127.44 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -99.29 32.35 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -114.8 110.34 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -73.66 -50.64 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.5 tpp180 -59.12 -50.99 71.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' B' ' 342' ' ' ARG . 92.0 t80 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.465 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.65 -34.87 78.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -67.02 -58.2 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.264 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.9 m-85 -60.23 -26.45 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 2.5 mmt180 -69.74 -37.18 76.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -32.57 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -40.85 77.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.634 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -63.65 -42.41 98.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.83 -45.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.559 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.28 -29.37 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.736 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 10.8 tp -68.16 -38.96 82.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.747 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.98 -29.93 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.22 -34.25 74.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -63.16 -31.59 72.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -33.53 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.48 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -41.59 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.6 82.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.481 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.798 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 14.4 m 60.8 111.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -137.27 121.91 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.94 6.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.42 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 15.1 tp -100.42 113.14 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.46 85.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -93.02 139.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 31.05 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.63 120.45 3.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -64.34 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -55.65 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -58.34 -47.16 84.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 28.6 t80 -63.2 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -38.4 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.7 ttm -65.41 -56.07 14.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.307 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -59.42 -28.05 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -68.5 -43.39 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.32 -29.77 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.57 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -31.85 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.71 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -40.31 66.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.04 -36.44 72.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.63 -33.34 64.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.6 -31.17 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.67 -38.39 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -62.44 -39.89 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 -32.98 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.34 67.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.87 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.62 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.47 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.779 0.323 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 62.2 p -96.39 152.95 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' D' ' 328' ' ' PHE . 4.9 m-85 -130.92 125.74 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.39 118.02 4.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.12 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.03 123.64 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 23.4 mt -132.8 144.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 36.42 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.02 129.32 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -31.32 59.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.24 -49.07 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -59.16 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 47.3 t80 -60.58 -32.72 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.604 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.46 -38.92 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -64.55 -55.67 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.15 -25.17 63.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.021 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -45.52 57.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.649 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -71.83 -31.09 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.649 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.4 mt -75.07 -31.25 61.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.754 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.03 -39.92 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -71.15 -31.68 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.51 -36.87 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -67.15 -30.85 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.16 -38.52 85.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -60.16 -34.49 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.82 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.61 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.1 -31.78 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.4 11.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.504 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m 60.63 110.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -136.28 135.67 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.63 5.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -107.19 133.53 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -110.29 85.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.528 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.413 HD13 ' CE2' ' A' ' 341' ' ' PHE . 29.9 mm -75.23 152.98 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -129.71 75.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.05 133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -60.89 -45.92 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.85 -40.44 72.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.474 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -62.57 -55.7 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -61.13 -32.12 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.302 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.59 -36.11 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mtm -66.71 -60.07 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.474 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.83 -24.09 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -76.83 -40.99 45.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.26 -32.05 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.616 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -32.12 63.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.664 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -71.35 -40.09 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.23 -39.53 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.89 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.18 -31.63 64.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.72 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.67 -35.34 80.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -60.38 -33.14 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -34.27 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.56 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -66.91 -40.38 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.02 -169.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.536 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.83 0.348 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 12.1 t -162.57 152.11 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -143.34 114.03 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -73.19 145.83 36.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -131.6 138.27 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -85.34 82.63 1.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 26.0 mm -89.28 153.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -147.35 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.63 129.12 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -60.37 -65.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.25 -37.05 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.439 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 15.1 ttp180 -64.2 -57.41 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 15.2 t80 -64.14 -31.31 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.0 -32.32 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -68.75 -57.07 6.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.331 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 3.3 m-85 -60.88 -25.3 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -76.38 -45.76 30.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.539 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -68.27 -32.19 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.289 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.66 -44.94 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -62.89 -34.02 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.814 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.24 -44.4 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.649 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.15 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -35.33 65.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.02 -23.68 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.424 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -77.81 -33.42 52.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -31.02 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.1 -31.51 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -93.23 -35.9 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 64.3 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.486 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.27 109.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.9 m-85 -135.64 151.02 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -97.89 138.54 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.409 ' HB2' ' CE2' ' D' ' 338' ' ' PHE . 1.4 tt -136.85 135.29 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.23 82.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -71.26 85.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -72.53 75.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.21 140.74 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.35 -56.04 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.04 -36.39 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.405 ' HB3' ' CE1' ' C' ' 341' ' ' PHE . 50.2 mmt-85 -60.85 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -54.62 -37.11 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.799 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.12 -43.11 91.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.343 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.9 mmm -66.07 -58.52 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.908 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 6.0 m-85 -61.33 -19.94 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.342 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -79.36 -39.88 31.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.585 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.95 -31.99 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.43 -36.01 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.728 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.97 -34.84 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.47 -42.58 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.95 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.24 -29.84 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.17 -31.36 68.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.25 -39.69 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -65.14 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.76 -32.51 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.71 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -90.83 -43.46 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.62 -176.39 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 87.5 p -173.14 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -97.68 126.6 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -74.68 135.78 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.77 128.46 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.32 100.15 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -98.64 137.96 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.49 77.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.53 125.72 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -65.04 -43.99 90.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.01 -43.49 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 6.4 ttm180 -60.59 -53.03 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.7 t80 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.598 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.08 -35.91 80.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.412 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mtm -66.0 -57.6 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.3 m-85 -60.87 -28.2 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -75.87 -44.35 41.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.604 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.41 -30.76 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -32.56 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.665 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.79 -41.86 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.2 -30.75 58.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.89 -28.08 36.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.997 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.9 mt -80.63 -29.87 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.12 -27.07 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.36 -35.23 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -72.57 -31.5 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.7 -31.21 57.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.14 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.15 -29.67 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.4 30.98 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.484 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 328' ' ' PHE . 5.4 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.87 0.366 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.9 p -69.66 110.34 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 326' ' ' GLU . 26.9 m-85 -100.98 118.96 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.86 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.57 113.91 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.18 94.95 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 24.1 mt -110.01 127.28 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -107.66 30.8 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -122.12 110.78 1.67 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -33.3 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.999 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -73.98 -62.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -57.22 -40.01 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -66.66 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.63 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -53.07 52.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.414 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 3.7 m-85 -59.24 -30.23 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -70.64 -47.23 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.25 -30.69 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -36.15 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.12 -43.04 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.42 -35.07 73.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.51 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.04 -28.92 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.16 -28.15 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -50.03 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -28.78 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.29 -33.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.94 50.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -30.95 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -86.69 103.03 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.535 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 73.5 p -160.19 145.1 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -153.61 137.21 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.86 6.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.58 136.96 46.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -132.87 90.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -95.07 146.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -110.89 77.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.32 147.67 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.24 -52.97 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.17 -42.72 93.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 8.3 ttm-85 -61.49 -54.15 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.2 t80 -60.3 -30.82 69.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.88 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.15 -56.15 12.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.351 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 2.8 m-85 -62.61 -28.0 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 -74.48 -42.04 59.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.33 -32.18 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -32.79 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.63 -46.0 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.53 -31.1 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.99 -30.07 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.27 -40.58 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -68.54 -30.08 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.86 -31.26 70.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.01 -31.19 56.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -76.97 -32.49 57.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 128.05 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.525 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.748 0.309 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.67 114.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.09 151.14 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.45 118.48 4.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 125.08 49.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.86 91.63 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 26.7 mm -91.9 149.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -142.86 34.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -153.89 141.95 8.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -71.9 -55.89 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.21 -44.23 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -59.88 -51.85 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.34 -33.4 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.81 -39.96 93.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.71 -55.48 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.418 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.5 -27.13 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -72.25 -44.7 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -31.39 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.437 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -72.39 -35.46 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.626 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -41.5 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -73.9 -34.43 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.98 -28.51 39.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.34 -19.29 33.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -85.25 -30.22 23.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.87 -26.82 54.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.937 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -74.13 -31.02 62.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.374 . . . . 0.0 110.797 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -66.76 -36.02 81.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.38 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -69.98 -44.91 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.41 5.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.503 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.763 0.315 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 27.8 t -127.11 128.6 46.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -112.48 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.29 136.76 14.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -139.27 110.95 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.27 92.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.1 mm -75.8 126.71 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -100.48 36.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.59 136.33 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.36 -37.3 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -63.48 -56.46 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' D' ' 338' ' ' PHE . 27.6 t80 -60.27 -20.14 57.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.99 -41.17 62.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.278 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' D' ' 341' ' ' PHE . 2.1 ptm -69.98 -39.84 75.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 111.007 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.465 ' CE1' ' CG ' ' D' ' 340' ' ' MET . 2.7 m-85 -72.31 -28.93 63.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -74.51 -40.34 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.439 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.28 -32.04 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -42.96 62.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -73.04 -31.53 64.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.7 -30.83 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.989 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.81 -33.68 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.708 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.47 -29.21 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 -44.4 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -65.67 -29.18 69.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -36.59 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.09 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -31.34 57.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.32 -44.43 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.459 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.82 139.28 29.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -113.43 125.99 54.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.7 116.9 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.42 ' HB2' ' CE2' ' B' ' 338' ' ' PHE . 18.8 tp -98.35 128.15 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.59 82.57 0.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.83 133.03 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -102.21 76.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.18 142.5 3.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -77.68 -33.29 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.24 -52.94 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 2.8 ttm180 -58.55 -49.7 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CD2' HD11 ' B' ' 330' ' ' LEU . 22.0 t80 -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.78 -38.5 90.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -65.6 -56.27 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.9 m-85 -61.34 -28.02 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -72.31 -42.28 65.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.567 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.0 -30.23 62.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.81 -33.15 62.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -41.78 63.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.759 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.1 -31.61 69.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.37 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -30.14 67.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.735 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.3 -27.67 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -39.26 41.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -28.55 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.51 -30.95 63.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.55 75.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -33.91 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.81 102.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.504 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.815 0.34 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m 60.84 111.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 4.0 m-85 -136.17 138.74 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.84 128.55 9.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -109.31 141.29 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.66 103.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.51 138.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -126.82 31.28 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.17 134.18 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.71 -51.84 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.76 -37.56 84.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.417 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 10.0 ttm180 -63.06 -55.63 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 33.8 t80 -60.19 -31.97 70.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.89 -36.09 82.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.6 ttm -66.5 -57.09 8.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.325 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.2 m-85 -59.69 -25.78 65.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.89 -44.34 63.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.597 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -71.79 -31.95 67.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.569 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.03 -31.89 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.642 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.403 ' OD1' ' CE1' ' A' ' 341' ' ' PHE . 2.5 m120 -70.44 -41.97 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.78 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -32.73 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.29 -31.72 49.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.77 -28.92 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -76.2 -30.54 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.93 -37.04 64.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.54 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -31.57 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.55 -35.14 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -91.43 -31.57 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.64 157.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.508 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 72.8 m 60.27 104.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.402 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 25.2 m-85 -111.5 135.99 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.03 83.21 1.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -74.44 118.01 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 115.65 5.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 24.9 mm -106.65 136.9 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -106.21 36.13 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -157.48 135.21 4.27 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.39 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.46 -53.72 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' C' ' 342' ' ' ARG . 38.5 t80 -62.54 -31.26 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.596 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -38.28 90.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.14 -56.66 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.4 m-85 -60.9 -25.7 66.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.813 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.419 ' HD3' ' CE2' ' C' ' 338' ' ' PHE . 9.9 tpt180 -71.5 -42.7 67.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.87 -31.61 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.17 -31.58 61.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.82 -39.21 69.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.95 -36.23 69.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.48 -32.12 64.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.27 -32.39 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -30.74 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.58 84.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.8 83.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -35.19 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.15 83.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -82.95 -35.36 26.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.75 176.01 3.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.862 0.363 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.56 152.84 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 24.6 m-85 -146.09 144.12 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.43 141.8 15.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.36 116.52 15.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.07 100.68 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 30.4 mm -91.31 104.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 74.81 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.64 141.23 3.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -75.24 -36.99 61.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -48.81 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.425 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 8.9 ttm180 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' HG ' ' C' ' 330' ' ' LEU . 24.4 t80 -61.0 -34.49 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.42 -37.06 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.5 ttp -65.27 -57.91 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.368 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.4 m-85 -59.36 -27.34 65.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -70.71 -42.27 70.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -74.9 -30.67 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.68 -30.57 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.693 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.88 -40.5 63.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.704 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -34.65 65.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.737 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.84 -30.47 58.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.987 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -30.98 59.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.06 -29.18 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.49 -44.07 65.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -64.21 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.36 -31.47 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.25 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -66.3 -40.12 89.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.57 -176.71 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.517 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.843 0.354 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.3 131.21 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.7 m-85 -105.9 144.92 31.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.41 122.77 5.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.45 110.97 11.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.14 100.12 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.55 112.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -85.82 77.05 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.34 126.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.41 -46.68 75.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.56 -45.7 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -51.88 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' B' ' 330' ' ' LEU . 17.4 t80 -59.98 -32.88 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.0 -38.83 90.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.414 ' HE1' ' CE1' ' A' ' 341' ' ' PHE . 50.7 ttp -65.56 -56.96 9.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.383 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -62.25 -26.75 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -77.08 -42.24 38.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.583 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -72.67 -31.63 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -35.16 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.517 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.84 -43.24 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.71 -29.74 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.29 -29.31 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.52 -34.63 58.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.4 -29.46 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -36.16 73.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -66.97 -31.16 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.44 -31.57 72.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.37 93.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -69.92 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -127.11 95.73 4.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.461 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.1 t 60.11 97.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.404 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 41.8 m-85 -108.44 137.86 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.96 127.66 8.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 338' ' ' PHE . 1.0 OUTLIER -127.55 105.71 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.66 106.04 3.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.12 132.8 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.68 31.06 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.3 135.36 7.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -70.28 -49.92 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.95 -47.5 77.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -59.65 -51.89 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 20.3 t80 -60.32 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.45 -39.5 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.34 -56.51 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.323 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.422 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -62.18 -27.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -76.31 -43.07 42.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.587 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -31.44 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.6 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.47 -43.39 66.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.71 -31.96 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.59 64.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.991 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.86 -40.09 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.49 -43.09 57.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.04 -30.12 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.99 -31.08 56.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.36 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -72.04 -33.06 67.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.61 149.13 23.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.504 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.839 0.352 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.7 m 60.71 110.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -117.35 141.06 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.65 114.4 4.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.442 ' CD1' ' CZ ' ' D' ' 338' ' ' PHE . 14.0 tp -106.78 124.76 50.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.93 91.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -95.0 129.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 34.31 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.33 140.53 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -77.8 -49.36 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.26 -47.21 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -59.44 -50.29 74.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' D' ' 330' ' ' LEU . 17.1 t80 -60.41 -33.07 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.625 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -55.0 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.88 -27.91 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.71 -44.69 66.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.598 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.34 -30.51 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.689 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -71.67 -39.47 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.11 -38.72 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.23 -33.32 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -29.5 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -70.15 -30.84 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.34 -38.56 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -33.2 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -34.48 75.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.29 -31.71 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.14 -33.54 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.78 -169.99 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 3.6 t 60.73 110.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.408 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 24.9 m-85 -138.63 150.74 46.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -102.41 137.07 13.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.563 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' C' ' 338' ' ' PHE . 0.8 OUTLIER -132.64 131.8 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.5 100.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.98 117.58 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -93.11 74.93 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 142.53 5.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -77.38 -46.77 21.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.86 -40.48 72.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 7.2 ttm180 -61.3 -53.89 51.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.72 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CZ ' ' CD1' ' C' ' 330' ' ' LEU . 27.8 t80 -60.13 -36.54 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.33 -36.44 77.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttm -65.58 -56.76 10.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.61 -26.06 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -45.13 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.601 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.63 -30.7 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -35.47 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.6 -42.97 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.738 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.22 -33.76 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.29 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.53 -37.41 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.736 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.7 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.1 -42.98 99.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -30.61 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -32.16 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.28 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.21 -31.89 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.84 92.29 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.48 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t -99.07 150.56 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.418 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 29.9 m-85 -151.47 127.37 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.07 121.7 6.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.1 129.04 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.59 99.78 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.29 137.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -109.81 32.94 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.13 146.41 17.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -78.1 -38.4 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.12 -48.11 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.405 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 7.3 ttm180 -59.66 -51.83 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.725 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 46.1 t80 -60.89 -32.34 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.27 -38.09 87.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.451 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 ttp -65.64 -57.67 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.405 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -61.12 -27.06 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -73.8 -43.17 59.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.487 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.08 -29.87 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.15 -30.92 60.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.636 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.02 -43.22 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.01 -30.53 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.81 -31.42 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.61 -34.05 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.731 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.92 -29.18 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -47.15 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -27.44 63.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -78.78 -30.22 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.68 -31.06 61.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.35 -32.14 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.36 -39.93 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.326 -1.263 . . . . 0.0 112.487 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 29.2 t 61.07 112.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.415 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 8.2 m-85 -127.06 130.75 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -109.91 138.17 14.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.405 HD11 ' CZ ' ' A' ' 338' ' ' PHE . 14.1 tp -128.7 140.61 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.18 91.06 0.65 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -97.16 122.11 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -94.84 48.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.93 136.13 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -75.35 -51.55 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.91 -45.05 79.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -61.48 -55.51 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' HA ' ' CD2' ' B' ' 341' ' ' PHE . 32.2 t80 -60.96 -26.72 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.462 ' HA ' ' HG2' ' B' ' 342' ' ' ARG . 22.2 mt-10 -67.8 -35.32 78.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -70.95 -44.75 65.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' B' ' 338' ' ' PHE . 2.5 m-85 -64.13 -34.92 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' B' ' 339' ' ' GLU . 2.8 ptp180 -73.26 -34.41 65.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.781 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.58 -33.75 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 5.3 tp -75.15 -30.95 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.695 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -74.63 -38.31 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.696 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -71.66 -36.1 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.23 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -31.24 67.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.53 -30.38 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.9 -38.14 89.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -59.33 -32.23 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.12 -46.19 74.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.39 72.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.01 -31.46 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -126.45 88.33 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.824 0.345 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 12.6 t 60.71 111.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.32 146.78 48.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.33 112.58 3.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.52 129.64 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.76 82.54 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -91.23 124.02 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -103.18 30.9 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.73 139.69 11.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -77.07 -44.4 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.38 -46.63 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -58.47 -50.22 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' D' ' 330' ' ' LEU . 20.4 t80 -59.99 -39.86 87.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.536 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.67 -36.36 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.62 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -56.65 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.09 -25.96 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -45.56 47.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.584 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -71.13 -32.64 69.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.1 mt -72.82 -30.08 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.27 -43.15 67.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.719 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.78 -32.53 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.96 -32.41 59.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.35 -31.8 64.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.1 -34.33 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -66.72 -32.23 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.3 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.99 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -80.89 -37.76 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.98 -74.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.554 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.84 0.352 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 66.3 p -95.08 151.29 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -142.34 118.61 10.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.35 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 0.4 OUTLIER -109.13 138.45 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.39 108.92 3.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.469 HG22 HD11 ' D' ' 332' ' ' ILE . 25.9 mm -106.69 125.18 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 34.07 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.93 140.89 9.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -77.96 -37.27 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -47.29 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 ttm105 -60.39 -50.83 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.771 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -61.31 -32.54 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.33 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -55.5 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.394 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.2 -28.13 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -70.94 -44.13 66.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -29.85 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.498 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -31.32 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.698 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -72.7 -41.88 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -35.1 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.96 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.4 -37.26 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.15 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.97 -48.21 54.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -67.83 -30.07 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.59 -31.06 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.76 70.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.63 -48.31 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.99 155.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.444 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 p -90.87 142.61 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -135.97 146.82 47.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.65 135.02 13.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' B' ' 338' ' ' PHE . 19.6 tp -129.49 142.47 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -122.08 83.54 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.2 132.08 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -94.68 93.8 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.17 139.45 2.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -77.55 -38.34 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.89 -48.7 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.407 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttm180 -59.83 -52.03 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 16.4 t80 -62.7 -31.62 72.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.27 -35.67 81.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -66.87 -54.95 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.409 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 4.0 m-85 -60.35 -28.51 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.04 -45.6 56.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.668 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.57 -31.2 69.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.549 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.56 -33.82 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -68.79 -45.61 70.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -69.07 -37.46 78.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.28 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -30.95 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -67.57 -30.73 70.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.79 -49.02 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -60.88 -31.99 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.89 -42.98 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.04 67.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -76.83 -31.46 56.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.29 82.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 5.9 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.2 t -81.26 141.11 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -135.02 141.61 46.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.63 141.42 17.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 33.9 tp -142.67 142.47 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.14 93.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 25.3 mm -89.15 112.58 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -82.63 77.08 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.07 135.84 1.89 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -73.64 -37.2 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.37 -48.97 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -58.97 -50.71 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.719 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.404 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 17.1 t80 -60.52 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.69 -38.11 86.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.38 -57.8 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.4 m-85 -60.63 -28.04 68.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -76.14 -45.66 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.9 -31.12 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.96 -36.09 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.629 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.75 -43.41 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.16 -31.6 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.89 -31.46 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.89 -31.54 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -71.22 -30.53 66.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -38.25 83.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -62.93 -39.88 95.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.69 -31.55 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.58 -31.95 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -83.8 -34.55 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.43 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.854 0.359 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.9 p 59.24 108.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 69.2 m-85 -128.28 152.63 47.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.92 140.49 11.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' D' ' 338' ' ' PHE . 1.3 pt? -135.49 152.79 51.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.4 90.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.404 HD12 ' CD1' ' C' ' 338' ' ' PHE . 2.7 mp -81.29 128.98 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -98.38 35.15 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.86 126.74 3.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -64.05 -47.42 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.55 -39.66 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.85 -54.17 45.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.767 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 14.1 t80 -59.55 -32.78 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.676 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.16 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -66.81 -55.4 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.425 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.7 m-85 -62.72 -27.33 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -76.63 -44.13 35.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.45 -31.86 70.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.438 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 4.6 mp -71.93 -43.02 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.392 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.13 -35.54 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -66.86 -51.63 53.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.626 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.712 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.33 -41.73 89.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.768 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.0 -31.42 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.59 -41.69 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -67.45 -30.69 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.99 -31.64 70.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -31.39 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -89.96 -50.12 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.47 137.47 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 74.4 m -100.05 117.9 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 19.3 m-85 -108.56 150.9 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.92 116.65 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.28 134.5 43.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.82 85.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.0 mm -82.85 151.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 42.31 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -161.58 149.32 17.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -78.55 -56.14 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -46.04 90.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.46 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.9 tpt180 -60.36 -53.25 59.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 32.9 t80 -62.71 -32.66 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.402 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.94 -36.14 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtm -65.6 -56.34 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.367 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 6.0 m-85 -58.55 -26.36 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -46.16 54.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.643 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.67 -30.26 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.76 -32.79 68.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.746 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.49 -44.39 67.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.13 -34.96 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.74 -30.96 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.87 -29.93 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.15 -29.61 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.47 -39.23 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -60.67 -41.35 94.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.5 -31.5 69.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.51 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -76.48 -31.71 57.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -138.47 102.66 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.503 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.854 0.359 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 73.1 m 61.0 112.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.9 m-85 -126.66 120.97 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -76.51 132.84 12.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -128.14 124.31 36.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.63 83.01 1.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -76.92 150.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -129.8 77.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.89 135.14 1.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -69.84 -42.39 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -72.11 -43.95 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -61.0 -53.41 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.44 ' CZ ' ' CD1' ' B' ' 330' ' ' LEU . 18.7 t80 -60.77 -31.39 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.2 -37.16 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -66.64 -55.46 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.15 -26.94 68.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -72.94 -41.26 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.595 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.7 -31.28 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.702 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -73.27 -37.89 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.12 -31.7 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.54 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.79 -36.04 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -71.73 -29.94 65.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -33.7 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -65.56 -38.78 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.18 -33.32 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.15 63.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -31.08 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.37 88.76 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.528 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.2 t -160.75 130.07 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -139.29 131.26 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -78.07 142.36 26.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 338' ' ' PHE . 13.8 tp -138.92 111.7 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.94 85.03 0.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.446 HD11 HG22 ' B' ' 332' ' ' ILE . 29.2 mm -86.89 127.19 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.6 71.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.73 129.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.4 -42.68 78.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -74.33 -51.09 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -58.32 -49.47 77.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.759 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 35.1 t80 -61.56 -35.12 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttm -64.55 -54.62 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.43 -28.18 66.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -46.44 51.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.0 -31.4 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 12.1 mt -73.39 -31.3 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.661 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -71.03 -41.92 70.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.77 -31.62 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.735 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.27 -37.32 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.26 -36.35 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.11 -28.72 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.15 -42.58 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -30.98 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.11 69.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -114.59 30.81 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -117.2 166.14 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.5 m -162.17 152.53 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -134.52 152.78 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.11 124.01 7.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.406 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -118.06 134.53 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.48 99.51 1.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.551 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.69 131.86 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -101.59 86.97 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.1 134.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -72.22 -47.37 51.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -70.95 -42.0 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -62.04 -54.81 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.74 -32.51 72.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.342 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.02 -35.73 81.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.198 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.86 -60.04 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.482 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.9 m-85 -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -73.39 -44.47 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.75 -32.65 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -36.1 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.62 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -65.93 -45.83 80.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.97 -31.88 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.73 -31.4 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.76 -32.46 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -70.49 -30.77 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -36.49 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -64.67 -34.38 78.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.67 -32.61 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -74.42 -51.74 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.12 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.548 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 10.7 t 60.65 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.439 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 3.9 m-85 -130.26 152.33 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.15 145.84 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.3 tp -128.93 140.39 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.01 102.18 2.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.64 131.64 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -111.41 36.87 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.02 128.15 2.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.38 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.25 -40.4 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -62.49 -55.66 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.406 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.2 t80 -62.24 -33.15 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -62.95 -34.06 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.169 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -67.03 -60.71 2.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.187 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.1 m-85 -62.47 -25.09 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -76.26 -39.03 55.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.517 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -74.87 -31.17 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -33.87 65.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.61 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -70.79 -41.98 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.763 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.3 -36.7 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.28 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.2 -37.98 75.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.82 -30.51 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -65.62 -41.32 92.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -34.89 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -74.98 -41.27 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.11 -33.53 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.455 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m -67.62 93.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.5 m-85 -82.17 117.08 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.07 155.48 24.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.02 136.74 21.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -93.72 94.9 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 30.5 mm -77.79 149.68 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -129.66 79.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.0 128.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -60.46 -37.82 82.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -73.21 -47.91 39.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 4.9 ttm180 -59.85 -52.09 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 68.0 t80 -61.12 -31.72 71.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.534 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.486 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.96 -56.55 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.307 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -60.99 -27.01 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -75.04 -44.76 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.81 -30.82 64.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -31.62 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -71.65 -41.04 69.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.86 -26.45 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.97 -29.19 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -35.27 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.01 -24.61 55.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 mt -78.01 -35.07 50.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -72.57 -31.16 65.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.89 -31.79 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -91.48 -40.51 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.02 -57.55 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.453 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.409 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 25.1 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.836 0.35 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 91.7 p -101.27 152.85 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 24.1 m-85 -146.05 134.86 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.73 143.79 17.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.32 134.29 43.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.34 101.5 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.44 139.53 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -117.18 84.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.53 128.53 0.96 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -62.33 -35.7 79.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.25 -49.25 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.3 ttm180 -59.7 -51.94 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 32.1 t80 -61.73 -31.67 71.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.22 -37.61 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttm -66.45 -56.64 10.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.3 m-85 -62.39 -26.41 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.57 -42.26 59.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -31.38 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.12 -35.33 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.513 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.1 -41.87 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.34 -32.37 66.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.763 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.72 -33.16 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -30.51 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.49 -44.25 83.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -68.87 -31.41 70.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.94 -31.55 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.55 -31.34 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -68.66 -31.61 70.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.5 -172.65 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.485 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.84 0.353 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.8 m -101.12 127.78 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -107.55 123.34 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.57 148.73 21.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.6 OUTLIER -142.49 112.74 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -87.42 93.25 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -95.29 137.37 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.086 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -105.85 75.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.26 120.42 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -62.34 -37.69 86.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.55 -49.15 34.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -51.42 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -60.62 -32.22 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -62.45 -38.33 89.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttm -66.24 -57.55 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.265 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.39 -25.95 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.07 -46.23 21.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.39 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -31.15 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.148 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.5 -45.84 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.66 -39.18 79.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.683 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -71.74 -37.61 70.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.43 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -38.93 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.62 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 -44.76 90.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.53 -31.54 57.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.28 -33.19 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -75.97 -31.76 59.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 77.86 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.494 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.422 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 61.9 p -103.03 151.9 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 37.5 m-85 -149.51 142.81 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.15 118.15 5.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -101.16 131.19 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.33 88.81 0.84 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.99 114.01 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -96.56 40.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.08 140.37 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.79 -52.58 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.09 -47.65 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -59.64 -51.26 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.411 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.5 t80 -60.61 -32.22 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.15 -39.42 92.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.6 mtm -64.89 -56.55 12.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.368 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.99 -26.46 64.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -75.87 -49.21 18.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.393 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -66.56 -30.72 71.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.175 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.82 -45.9 70.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.406 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.77 -40.4 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.76 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -74.92 -32.95 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.87 -30.06 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.92 -30.77 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.739 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.57 -29.61 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.34 -43.48 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -64.25 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.91 -31.41 72.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.42 72.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.11 -39.07 21.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.92 119.59 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.864 0.364 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 72.3 p -131.77 122.95 26.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.418 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.7 m-85 -106.82 140.04 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.88 9.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' B' ' 338' ' ' PHE . 0.7 OUTLIER -109.49 133.3 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.02 83.9 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.4 mm -84.85 138.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -115.3 35.53 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -149.64 136.66 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -34.13 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.95 -49.37 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 4.5 tpt180 -59.39 -51.12 71.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' B' ' 330' ' ' LEU . 51.1 t80 -62.97 -33.13 74.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.89 -37.43 86.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.304 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mmm -64.11 -57.76 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.3 m-85 -57.38 -27.72 62.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -67.11 -40.42 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.539 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -31.71 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.522 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.96 -34.94 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.587 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -44.38 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -30.99 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.19 60.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.33 -31.89 66.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.82 -29.85 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.53 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -60.25 -31.36 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.38 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.66 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -114.77 113.43 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.479 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.888 0.375 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 44.3 t 60.32 90.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -108.21 150.16 27.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 126.17 8.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.439 ' CD1' ' CE2' ' A' ' 338' ' ' PHE . 4.7 tp -107.29 117.36 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.71 114.0 4.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mp -125.38 134.52 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -98.45 34.43 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.98 137.24 8.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.0 -45.52 49.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.78 -49.73 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.8 ttm180 -58.9 -50.56 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 330' ' ' LEU . 42.7 t80 -61.47 -34.26 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.71 -38.35 87.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 27.5 ttm -64.92 -57.07 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.426 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 2.7 m-85 -62.73 -29.73 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -37.47 57.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.72 -36.43 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -40.85 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.475 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -61.44 -42.94 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -48.3 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.19 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.732 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.85 -40.48 87.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -29.73 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -41.57 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -64.08 -30.31 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.35 -33.11 75.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.94 32.3 6.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -170.43 83.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.511 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 8.6 mp0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.848 0.356 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.5 t -86.39 147.48 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 22.3 m-85 -136.58 136.1 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.86 127.84 8.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.415 ' HG ' ' CE2' ' D' ' 338' ' ' PHE . 0.5 OUTLIER -100.03 132.06 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -113.07 89.0 0.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -95.64 149.69 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -126.22 77.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.81 148.0 5.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -73.38 -47.03 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.72 -36.46 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.3 OUTLIER -63.64 -56.07 18.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 16.4 t80 -60.51 -32.12 71.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.88 -36.26 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -59.2 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.224 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -62.52 -24.92 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -77.01 -40.88 44.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.498 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.86 -30.64 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -72.2 -42.85 65.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.61 -31.83 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.99 56.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mt -75.38 -31.53 60.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 -29.73 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -37.1 84.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -64.09 -34.88 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -67.88 -32.12 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.93 -33.48 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -78.24 -31.78 49.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -128.48 86.47 2.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.461 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 33.2 t -157.95 147.63 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.415 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 16.0 m-85 -143.84 139.08 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.88 157.55 25.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.403 ' CD1' ' CZ ' ' C' ' 338' ' ' PHE . 0.9 OUTLIER -151.53 130.73 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.07 96.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.19 127.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -92.03 74.71 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.91 127.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -77.46 -33.93 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.55 -52.71 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -49.86 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.415 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 16.6 t80 -61.82 -32.47 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.73 -37.49 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -56.85 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.367 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.41 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.5 m-85 -62.09 -25.65 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -75.73 -42.07 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.8 -30.95 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -31.31 63.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.652 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.36 -42.87 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.93 -36.05 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.722 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.13 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.64 -31.29 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.54 -30.63 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.19 -41.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -66.17 -31.78 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -35.39 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.35 72.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -116.91 31.41 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.89 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.475 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.776 0.322 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.81 152.22 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -146.94 139.15 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.13 140.88 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' B' ' 338' ' ' PHE . 12.6 tp -135.3 124.28 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.83 82.36 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.76 143.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -117.24 73.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 142.36 4.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -76.01 -48.86 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.86 -43.31 72.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.3 ttp85 -61.91 -55.0 34.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' B' ' 330' ' ' LEU . 30.9 t80 -62.77 -31.18 72.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.89 -35.05 79.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.298 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttm -67.65 -58.23 5.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.245 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.06 -25.12 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -75.96 -41.87 50.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.51 -30.05 61.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.463 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.29 -30.76 62.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -73.46 -43.25 60.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -72.39 -31.5 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.95 -30.55 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -68.58 -30.25 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -63.21 -33.79 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -59.89 -43.68 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.92 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -76.49 -42.14 44.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.86 123.01 27.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.509 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 5.2 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.805 0.336 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.6 t -86.29 115.09 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 15.2 m-85 -103.23 145.98 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -92.25 122.12 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.422 HD11 ' CZ ' ' A' ' 338' ' ' PHE . 16.8 tp -104.56 131.8 51.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.99 95.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.08 124.69 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.08 30.87 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.2 144.9 12.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -73.43 -49.29 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.24 99.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -62.19 -55.36 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.685 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.421 ' CZ ' HD11 ' A' ' 330' ' ' LEU . 26.1 t80 -60.27 -20.58 59.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.08 -40.58 62.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.207 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' B' ' 341' ' ' PHE . 1.8 ptm -69.79 -40.09 76.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.001 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' B' ' 340' ' ' MET . 3.0 m-85 -72.02 -28.97 63.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -75.48 -41.27 55.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 36.2 mt -73.8 -31.71 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.604 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.01 -31.93 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.85 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.74 -41.51 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.36 -31.58 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.99 -34.25 77.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -62.17 -31.46 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.06 -37.44 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.52 70.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.28 -31.69 71.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.58 31.42 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.47 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.87 153.4 18.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -142.47 119.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.73 158.39 35.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.418 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -147.43 133.98 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -110.16 82.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.441 HD13 HG22 ' C' ' 332' ' ' ILE . 28.0 mm -76.32 132.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -98.81 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.96 141.27 11.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -78.03 -53.48 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.47 -43.91 92.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.7 -53.1 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.745 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.33 -32.57 71.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.2 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -55.24 19.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.375 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -58.75 -25.96 63.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.992 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.33 32.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.85 -31.27 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.45 -39.32 71.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.584 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -64.24 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.15 -37.01 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.68 -31.35 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.84 -27.19 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.12 -30.83 43.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.27 -32.87 59.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.53 -30.69 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -31.43 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.81 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -30.98 46.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -121.58 99.87 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CE1' ' D' ' 328' ' ' PHE . 35.2 mt-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.754 0.311 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.3 m -78.49 152.86 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.4 ' CE1' ' O ' ' D' ' 326' ' ' GLU . 27.4 m-85 -142.51 129.1 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -81.14 146.23 26.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.34 132.49 39.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.73 91.16 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -103.37 118.57 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -98.14 36.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.3 132.35 4.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -67.76 -51.36 50.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.434 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 1.1 tpp180 -63.67 -56.31 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.418 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.0 t80 -59.8 -31.42 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.66 -36.98 85.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.408 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.62 -57.46 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.8 m-85 -62.01 -25.87 67.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -73.91 -41.03 62.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -30.28 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -31.58 61.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.712 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -73.07 -40.71 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.4 -32.28 62.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -30.92 49.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mt -76.85 -29.62 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.73 -30.17 62.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.22 -36.66 77.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.68 -40.91 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.84 74.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -74.94 -31.65 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.81 -30.96 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t -87.45 111.19 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.92 123.56 41.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.39 26.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -130.96 132.27 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.63 87.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.23 131.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 75.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.96 127.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -38.54 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -72.3 -44.49 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.5 ttm180 -60.67 -52.99 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 17.1 t80 -60.62 -31.94 71.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.16 -37.55 87.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.98 -56.77 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.298 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -60.57 -26.88 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -72.3 -43.0 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.48 -31.19 63.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.453 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.92 -43.81 67.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.21 -31.48 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.72 -30.63 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.07 -30.94 58.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -72.36 -31.42 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.06 -40.14 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -62.03 -31.21 71.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.36 -36.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.62 84.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -74.08 -38.01 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.01 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.493 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.806 0.336 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 22.0 m -131.26 114.27 14.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 19.2 m-85 -107.75 144.79 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.25 146.26 16.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 338' ' ' PHE . 4.9 tt -138.16 145.26 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.49 82.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.77 119.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -97.11 77.21 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.5 141.72 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -77.53 -38.05 49.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -45.32 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.7 ttm180 -60.62 -53.1 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.776 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -61.14 -31.96 71.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.62 -37.03 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.533 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -56.35 10.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.364 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.2 m-85 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -74.77 -44.65 48.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.04 -33.85 70.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -72.33 -29.37 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.729 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -71.91 -42.58 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.17 -36.0 71.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.64 -31.37 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -30.45 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.49 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -33.76 74.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.2 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -80.8 -37.64 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.19 176.4 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.836 0.35 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 129.76 52.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.52 123.56 50.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.16 122.78 7.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' D' ' 338' ' ' PHE . 0.9 OUTLIER -106.26 126.8 52.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.78 95.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.06 133.88 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -100.37 71.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.19 134.25 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.27 -44.52 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.0 -47.05 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.417 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 11.2 ttm180 -60.12 -52.64 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.54 -31.9 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.73 -38.97 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.441 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -65.62 -58.19 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.189 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.6 m-85 -62.38 -27.16 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.41 -41.65 46.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.5 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.47 -31.32 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.493 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.63 -32.91 66.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.566 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.26 -44.03 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.84 -33.51 76.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.53 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.49 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.714 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -31.19 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.34 -38.74 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.2 -36.33 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -32.12 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -79.41 -36.19 39.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.08 -174.48 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.49 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.883 0.373 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 68.0 m 60.61 110.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.8 142.2 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.7 124.05 6.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -90.79 89.76 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -73.48 82.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 25.9 mm -104.67 126.58 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.91 32.07 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.05 130.41 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -36.79 83.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.37 -51.11 21.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -58.74 -48.7 80.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' C' ' 330' ' ' LEU . 16.3 t80 -61.19 -33.54 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -64.46 -55.54 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.42 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 4.6 m-85 -58.83 -28.0 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -73.95 -48.97 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.52 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.74 -31.67 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.251 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -69.85 -46.85 64.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.406 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.61 -38.45 87.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.49 -46.5 66.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.0 68.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.91 -37.24 75.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.71 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.46 -31.14 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.72 -39.65 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -59.81 -37.67 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.9 -40.85 96.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.13 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -68.57 -32.28 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.87 114.6 22.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.551 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.761 0.315 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 41.8 t -106.09 152.98 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 56.7 m-85 -146.65 125.06 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.88 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' B' ' 338' ' ' PHE . 0.4 OUTLIER -108.22 142.46 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.07 115.22 4.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.88 112.89 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.24 73.0 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.25 145.78 7.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttp-105 -78.23 -56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.39 -39.95 92.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -55.8 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.668 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.99 -31.56 71.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.02 -37.17 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.9 ttm -65.58 -56.31 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.316 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.6 -26.04 60.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -47.75 60.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.455 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.52 -30.3 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.23 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.41 -43.76 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -41.48 97.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.51 -31.07 60.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.78 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.974 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.97 -28.65 43.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.8 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.91 -27.34 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.15 -39.01 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -27.36 67.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.72 -31.59 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.11 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.88 -32.4 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -128.76 93.42 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.501 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 m 60.82 111.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -133.08 106.31 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.07 135.26 25.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.67 128.55 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.32 112.38 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.2 mp -110.15 138.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -106.48 31.04 5.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.18 144.54 12.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.92 -37.31 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -72.86 -46.19 54.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -59.57 -51.12 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 23.0 t80 -60.34 -35.09 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.618 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -61.24 -37.91 84.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.81 -56.2 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -58.62 -26.4 63.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -44.09 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.81 -31.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.93 -33.9 62.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.628 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -71.87 -39.13 69.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -27.11 47.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.98 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 11.9 mt -82.54 -25.47 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.17 -31.17 30.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.44 -27.71 41.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.796 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -78.83 -34.3 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.711 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.7 -30.82 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.35 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -88.89 -36.95 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.68 82.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.522 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.845 0.355 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.98 126.81 35.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -126.15 123.82 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.86 135.73 14.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.78 131.62 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.83 100.94 1.94 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -113.22 149.37 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -129.52 76.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.07 124.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -60.82 -37.66 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.41 -46.06 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.426 ' HG2' ' CE2' ' C' ' 341' ' ' PHE . 6.6 ttm105 -60.13 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.613 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.275 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -59.84 -36.57 77.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.421 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -59.5 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.144 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.426 ' CE2' ' HG2' ' C' ' 337' ' ' ARG . 8.7 m-85 -58.02 -22.24 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.211 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -44.46 50.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.463 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -30.63 67.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.7 mt -72.31 -39.33 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.674 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.3 -39.47 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.81 -42.36 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.77 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.8 tp -74.34 -34.14 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.26 -29.91 67.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.89 -38.87 89.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -58.6 -31.7 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.16 -30.8 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.52 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -30.25 26.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.41 96.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.538 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.83 0.347 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 12.4 m 60.65 108.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -123.88 152.42 42.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -132.27 139.39 10.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.15 146.25 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.37 82.49 0.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.4 ' CG2' ' CD ' ' D' ' 337' ' ' ARG . 3.9 mp -84.46 119.74 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -100.94 72.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.7 123.41 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.86 91.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.161 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.56 -52.22 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.208 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.4 ' CD ' ' CG2' ' D' ' 332' ' ' ILE . 3.7 ptp180 -65.35 -39.82 92.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.719 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -69.84 -32.41 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.258 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -65.72 -56.85 9.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.78 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -77.37 -43.26 33.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.488 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.36 -30.51 66.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.35 -43.6 49.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.488 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.6 -32.95 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -74.01 -44.92 52.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.519 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.6 -27.5 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.21 -38.16 69.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.28 -46.47 80.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -60.24 -33.2 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -35.94 78.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.63 -33.77 41.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.23 -176.57 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.498 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m 61.15 112.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.08 126.8 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.85 144.58 36.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' B' ' 338' ' ' PHE . 11.0 tp -146.51 137.79 24.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.23 82.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -86.57 130.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -103.68 83.25 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.07 125.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -60.54 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.91 -38.2 81.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 2.7 tpt180 -63.2 -56.24 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' B' ' 330' ' ' LEU . 15.5 t80 -62.13 -32.44 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.414 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.33 -33.9 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.327 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.4 mtp -67.99 -57.46 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.272 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 2.8 m-85 -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.692 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -76.59 -45.53 29.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.353 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -69.12 -31.79 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.6 -39.34 80.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.61 -46.09 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.84 -32.76 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.97 61.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.854 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.27 -34.77 70.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.64 -29.55 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.87 -35.11 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -68.21 -37.08 80.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -64.22 -32.53 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.05 -31.5 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.98 -31.93 45.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.99 160.65 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.487 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 39.8 m 61.17 112.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.4 m-85 -125.13 151.06 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.77 154.81 16.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 338' ' ' PHE . 38.9 tp -152.89 149.63 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.98 82.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.4 115.82 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.156 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -96.1 77.4 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.54 140.53 2.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.64 -35.84 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -53.08 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -57.66 -49.06 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.452 ' CE2' ' CD ' ' B' ' 342' ' ' ARG . 74.9 t80 -61.44 -34.67 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.11 -37.26 84.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.1 ttp -66.33 -55.97 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 5.3 m-85 -61.37 -26.97 68.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CD ' ' CE2' ' B' ' 338' ' ' PHE . 5.3 mtp180 -73.45 -42.28 62.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.51 -33.2 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 341' ' ' PHE . 4.5 mt -71.53 -41.29 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.42 -39.07 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.97 80.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.722 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.26 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.767 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -57.74 -30.08 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.82 -36.49 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -66.95 -38.54 86.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -39.67 93.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.43 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -31.62 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.37 136.63 33.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.509 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.413 ' CB ' ' CZ ' ' C' ' 328' ' ' PHE . 9.1 mt-10 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.85 0.357 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.53 145.71 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' CB ' ' C' ' 326' ' ' GLU . 25.6 m-85 -142.65 147.19 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.95 134.28 11.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 22.8 tp -128.49 114.53 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.08 82.48 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.19 131.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.67 70.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.25 140.96 4.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -78.35 -39.92 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -48.25 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.8 -52.06 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.736 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.9 t80 -62.03 -32.18 72.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.91 -36.96 85.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mtp -66.65 -55.62 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.357 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.419 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.8 m-85 -62.1 -28.24 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -44.9 26.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 110.441 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.5 -30.41 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.262 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.38 -42.84 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.428 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.39 -36.28 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.11 -42.03 63.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.9 -25.51 43.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.736 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.0 -29.17 58.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.84 -45.22 52.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -30.63 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.8 -30.39 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.48 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.65 -31.83 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.96 172.72 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 5.6 t 62.6 147.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 29.5 m-85 -148.15 142.36 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.96 116.48 5.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 17.9 tp -109.04 130.09 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.75 82.43 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -83.49 123.36 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 31.19 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.13 128.93 5.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.26 -47.1 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.9 -40.7 72.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CE1' ' D' ' 341' ' ' PHE . 0.5 OUTLIER -61.96 -55.27 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.4 t80 -60.08 -33.69 72.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.85 -37.48 84.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -64.87 -57.78 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 7.7 m-85 -58.07 -23.88 56.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -43.66 68.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.49 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -68.74 -31.59 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.71 -44.46 64.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.574 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.02 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -75.15 -36.27 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.14 -30.18 60.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.002 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.77 -31.84 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -74.14 -31.45 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -31.41 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.76 -34.85 79.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.34 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -78.55 -32.06 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.88 93.98 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.499 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.406 ' O ' ' CE1' ' A' ' 328' ' ' PHE . 5.5 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 30.5 t -89.42 121.27 31.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 11.8 m-85 -108.36 151.43 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.52 157.81 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.4 ' HG ' ' CE2' ' B' ' 338' ' ' PHE . 5.2 mp -140.94 152.04 44.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.21 82.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.411 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 332' ' ' ILE . 20.2 mm -80.4 141.58 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.337 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 30.65 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.64 144.0 9.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -30.85 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -54.29 20.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -48.87 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CD2' HD23 ' B' ' 330' ' ' LEU . 24.2 t80 -62.62 -31.95 72.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -37.46 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -57.01 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.77 -26.78 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -73.63 -44.96 55.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.525 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -72.13 -31.69 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -33.79 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.21 -43.48 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.98 -30.61 58.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.99 -33.81 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.76 -33.17 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -63.71 -34.62 78.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -41.88 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.23 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -78.0 -38.54 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.19 162.25 21.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.846 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.2 t -129.32 112.28 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 61.7 m-85 -101.0 118.41 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.09 138.07 13.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 338' ' ' PHE . 1.2 pt? -145.72 149.4 34.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -131.73 113.0 1.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.24 152.32 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.27 38.1 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.33 143.18 14.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -55.27 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -59.65 -48.31 82.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.31 -53.06 62.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.651 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 16.3 t80 -63.79 -32.03 73.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.65 -35.86 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.0 ttp -67.46 -58.98 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -61.93 -23.68 66.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.9 32.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -32.44 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -31.64 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -40.81 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.691 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.72 -41.52 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.29 -31.29 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.06 -31.16 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.745 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.64 -31.51 71.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -37.68 81.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.64 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -68.11 -31.26 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.19 -45.8 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.58 -31.39 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.07 143.76 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.479 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.805 0.336 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 6.0 p -104.58 131.94 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 6.3 m-85 -107.62 142.2 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.64 119.39 6.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' D' ' 338' ' ' PHE . 14.1 tp -97.82 114.6 26.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.75 84.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.4 HD11 ' CD2' ' C' ' 338' ' ' PHE . 4.6 mt -92.53 128.77 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -105.7 35.19 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -148.2 141.56 9.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -74.86 -39.57 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -72.22 -44.86 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.4 ' CD2' HD11 ' C' ' 332' ' ' ILE . 15.9 t80 -60.15 -33.99 72.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -37.36 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -57.38 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.336 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 4.7 m-85 -60.4 -26.99 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -76.32 -46.49 27.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.485 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.79 -31.75 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.75 -45.56 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.365 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -61.84 -39.91 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.77 -38.73 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.81 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.69 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.89 -43.44 75.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.12 -25.56 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.79 -34.65 71.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.744 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -62.67 -33.13 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.68 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -71.14 -31.66 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 81.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.52 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 13.2 p -171.27 151.91 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -141.27 136.67 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.79 134.55 11.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.09 121.11 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.67 119.73 6.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.33 133.25 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.65 37.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.28 134.81 7.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -42.15 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.45 -46.43 32.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 1.5 tpp180 -60.62 -53.34 58.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 21.2 t80 -61.9 -32.52 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.28 -36.22 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.244 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.22 -60.59 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.75 -25.46 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -74.67 -41.49 60.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 110.581 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.92 -32.62 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.8 mp -70.62 -35.24 72.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.671 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.6 -43.21 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.16 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.03 -34.94 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.665 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -26.1 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -72.7 -32.97 66.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -76.86 -28.48 55.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -77.88 -31.75 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.58 -31.29 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -31.6 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.71 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.524 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.802 0.334 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.3 m -95.46 152.3 18.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 14.7 m-85 -145.36 152.25 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.83 112.77 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' B' ' 338' ' ' PHE . 22.9 tp -95.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.11 86.88 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.449 HG22 HD11 ' A' ' 332' ' ' ILE . 23.9 mm -96.09 140.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.29 79.55 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.32 124.04 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.33 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.32 -42.81 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 3.0 tpp180 -60.93 -53.91 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' B' ' 330' ' ' LEU . 17.2 t80 -61.88 -35.7 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.386 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.47 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.366 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.411 ' HE1' ' CE2' ' A' ' 341' ' ' PHE . 23.6 ttp -66.31 -57.76 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.28 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.429 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.4 m-85 -58.99 -29.28 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.73 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.197 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.76 -28.79 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.232 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.32 -44.23 68.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.479 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -60.55 -39.97 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -67.39 -48.05 68.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.34 66.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 mp -74.24 -30.31 62.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.15 -30.4 67.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -40.81 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -59.8 -34.06 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.07 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.46 -45.75 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.99 84.09 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.531 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.837 0.351 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.4 t 60.88 110.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -139.02 147.4 42.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.16 130.49 10.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 0.4 OUTLIER -112.5 103.4 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.41 82.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.94 140.09 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.085 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -115.96 66.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.63 135.71 3.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -75.62 -43.08 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.16 -41.5 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -61.95 -55.63 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.656 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' CD1' ' A' ' 330' ' ' LEU . 16.1 t80 -60.1 -32.94 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.339 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -36.09 79.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.233 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttp -66.76 -61.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.953 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 7.6 m-85 -60.75 -24.19 65.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.24 -29.59 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.8 -39.47 61.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -72.34 -36.34 68.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.51 -27.04 60.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.659 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.16 -40.9 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -28.99 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.611 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -35.47 80.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -61.28 -33.71 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.32 -45.96 91.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -71.43 -39.88 70.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.75 97.63 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.419 -1.212 . . . . 0.0 112.472 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.841 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t -131.21 151.34 51.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.415 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 26.1 m-85 -139.1 140.43 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.28 118.26 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.414 ' HB2' ' CE2' ' D' ' 338' ' ' PHE . 1.2 tt -101.67 133.34 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.86 91.18 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.07 132.5 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -116.01 31.08 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.25 142.6 11.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -53.5 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.5 -49.44 77.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -59.79 -47.14 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.407 ' CE1' HD21 ' D' ' 330' ' ' LEU . 30.9 t80 -61.85 -33.17 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.629 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.28 -41.09 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.621 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.77 -53.31 52.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.04 -29.0 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -69.13 -41.64 77.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.724 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -35.39 76.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.03 -39.37 79.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -63.6 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.17 -47.85 66.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.646 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.91 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 10.1 tp -71.31 -41.74 69.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 -28.76 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -31.37 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -66.6 -31.41 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.46 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -67.92 -33.06 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.496 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.89 111.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -126.2 148.96 49.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -120.6 137.53 12.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' C' ' 338' ' ' PHE . 1.4 pt? -138.18 152.56 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -128.15 100.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 28.3 mm -91.67 138.81 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.11 31.61 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.6 122.4 3.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -52.59 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -46.07 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.1 OUTLIER -60.0 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.415 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 26.3 t80 -61.41 -34.28 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.48 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.24 -36.52 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.69 -57.27 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.341 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 8.3 m-85 -57.64 -26.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -47.62 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.63 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.83 -32.28 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.39 -35.66 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.627 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -66.0 -45.52 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.34 -31.36 62.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.2 -37.02 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -43.61 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.19 -33.35 75.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -31.15 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -88.23 -47.53 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.63 -68.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.482 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.01 142.15 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -146.33 146.24 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.0 130.55 10.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.419 ' HG ' ' CE2' ' B' ' 338' ' ' PHE . 14.3 mt -106.81 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.13 88.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.15 149.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -100.17 32.74 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.37 131.31 6.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -78.12 -36.49 47.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.82 -50.17 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttm180 -59.21 -51.38 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 18.1 t80 -61.69 -31.75 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.96 -38.19 90.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -65.76 -56.72 10.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.357 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.7 m-85 -60.61 -26.38 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -72.58 -43.25 63.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 -32.1 67.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.78 -32.75 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.587 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.41 -44.46 71.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.746 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.07 -38.17 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.13 -30.92 68.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -37.39 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.79 -31.06 70.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -46.4 55.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -68.78 -29.61 68.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.39 -31.34 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.27 -43.64 70.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.55 103.52 15.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.49 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.836 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 10.8 t -100.47 147.04 26.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.6 m-85 -117.58 134.72 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.39 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.408 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -111.07 132.2 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.73 94.91 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -113.67 125.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -100.84 70.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.46 138.54 4.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -35.21 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -48.59 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -50.52 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.419 ' CE2' ' HG ' ' A' ' 330' ' ' LEU . 51.5 t80 -59.93 -34.94 73.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.35 -39.12 86.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.6 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -65.23 -56.29 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.357 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.416 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 2.9 m-85 -62.87 -28.84 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -77.85 -41.49 36.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.0 110.547 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.44 -31.03 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.73 -32.93 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.582 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.98 -42.23 69.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.721 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.61 -34.91 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.93 -30.69 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.22 -30.25 60.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -71.06 -30.99 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -34.52 76.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.7 -41.08 97.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.17 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.48 -32.54 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.89 83.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.527 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 11.9 tt0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.4 m -86.84 121.68 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 19.6 m-85 -110.72 143.54 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.8 107.29 2.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -94.54 138.78 32.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.57 83.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.34 127.36 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -100.11 31.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.63 131.34 5.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -77.19 -40.03 46.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -66.44 -58.42 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -57.79 -42.03 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.31 -33.74 76.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.66 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.18 -38.6 91.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 44.9 mtm -64.77 -53.37 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.403 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -59.37 -29.5 67.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -70.95 -47.21 60.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.647 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -34.96 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.619 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.4 -46.47 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.681 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -67.87 -36.13 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.698 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.17 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -39.21 76.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.779 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.46 -29.38 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -37.76 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -64.18 -35.47 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.26 -36.42 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.33 62.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 -31.78 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.34 -174.27 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.524 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.86 0.362 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.9 t -92.21 147.67 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -137.88 146.92 43.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.96 105.24 3.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -90.11 111.43 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.33 84.85 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.32 137.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.75 79.31 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.36 122.52 0.7 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.42 -46.71 89.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.8 -47.79 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.434 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.6 tpp180 -60.24 -52.88 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 23.0 t80 -62.25 -31.2 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -36.37 83.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 mtm -66.53 -56.75 9.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.407 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.434 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.0 m-85 -61.67 -27.27 68.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -74.09 -42.7 59.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.57 -32.17 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.661 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -43.52 69.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.722 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.39 -36.66 83.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.8 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.5 -33.33 75.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.21 -41.45 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -65.06 -31.74 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.2 -37.98 86.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -84.28 -45.62 12.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.0 95.26 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 328' ' ' PHE . 6.8 tt0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 152.86 32.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 326' ' ' GLU . 14.6 m-85 -146.92 125.23 12.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.08 145.88 20.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' B' ' 338' ' ' PHE . 1.2 tt -128.32 139.58 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.96 90.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 24.5 mm -94.24 126.12 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.65 30.25 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.83 136.38 7.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -35.87 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.03 -47.28 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 8.4 ttm180 -60.18 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' B' ' 330' ' ' LEU . 17.6 t80 -60.49 -31.74 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -39.01 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.372 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -65.41 -58.28 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.253 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.423 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 4.3 m-85 -60.52 -25.1 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -72.03 -40.3 68.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.94 -31.64 63.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 10.1 mt -75.07 -31.33 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -73.28 -38.39 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.25 -33.92 63.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.14 -27.09 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.05 -31.9 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.0 -43.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -29.66 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.9 -30.66 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.06 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -80.94 -34.18 33.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.55 -171.48 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.478 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.34 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 36.0 m 60.15 101.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -105.27 150.26 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.74 119.49 5.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 338' ' ' PHE . 0.8 OUTLIER -106.35 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.49 5.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -127.18 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -99.53 31.23 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.64 125.04 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.39 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.48 -44.34 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -60.09 -52.01 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 16.9 t80 -59.37 -33.07 70.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.706 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.24 -39.76 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttp -65.18 -55.18 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.423 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -74.82 -44.52 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.555 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.11 -29.39 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.375 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -39.13 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -67.15 -35.78 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.528 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.14 -46.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.574 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.2 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.27 -36.49 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.723 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.66 -30.52 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.38 -46.39 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -63.26 -34.45 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -31.55 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.86 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -86.99 -31.58 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.92 113.88 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 39.0 t -132.57 132.77 42.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 3.9 m-85 -109.49 144.39 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.55 111.82 3.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -96.26 129.62 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.51 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.92 153.22 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -122.94 44.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.15 146.84 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -65.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.5 -36.37 75.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.458 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.2 OUTLIER -63.34 -55.81 21.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 17.0 t80 -60.76 -33.58 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.412 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -35.4 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.267 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -66.87 -59.07 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.458 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.72 -26.87 67.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -74.48 -43.53 55.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.9 -29.84 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.326 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -33.93 64.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.569 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.69 -43.86 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.704 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.78 -31.39 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.12 -35.56 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.683 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.88 -30.66 71.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -30.76 71.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.78 -31.36 64.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.07 -34.13 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -31.01 20.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.94 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.797 0.332 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 34.0 t -93.35 118.44 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 13.3 m-85 -106.45 123.53 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.89 140.46 15.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -141.35 152.62 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.36 93.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mm -94.7 118.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -99.49 74.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.11 127.77 1.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -71.38 -47.88 53.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.0 -46.48 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -51.2 71.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 32.3 t80 -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.71 -38.73 86.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -64.54 -55.17 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.423 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.1 m-85 -59.68 -27.94 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.98 -45.61 49.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.57 -31.9 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -72.09 -32.39 66.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.89 -42.27 73.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -30.83 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.06 -34.65 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.44 -35.27 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.41 -28.09 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -41.2 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -30.74 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.57 -31.46 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.94 51.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -33.8 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.14 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.489 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.858 0.361 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 23.0 p -155.31 152.75 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -152.91 131.57 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.55 126.32 7.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.448 ' CD1' ' CZ ' ' B' ' 338' ' ' PHE . 17.4 tp -111.18 112.21 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -91.29 82.83 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.68 145.45 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -114.72 39.52 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.71 136.69 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -77.29 -33.47 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.62 -55.32 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -58.17 -42.67 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -63.9 -36.24 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.47 -38.57 87.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.618 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -53.68 44.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 2.8 m-85 -59.67 -29.78 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -71.06 -46.61 61.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -35.63 64.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.6 -38.41 80.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -68.21 -40.26 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.3 -42.68 83.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.14 -28.03 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.13 -48.54 57.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -62.85 -30.69 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.75 -33.67 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.56 -32.64 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -31.32 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.98 166.19 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.492 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.84 0.352 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.4 t -132.25 152.83 51.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -143.4 134.93 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.89 122.3 7.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.55 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.54 138.71 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.52 104.14 2.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -108.78 127.01 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -106.5 31.36 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.61 131.08 4.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -62.95 -54.96 30.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -64.37 -37.47 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.417 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -63.14 -55.91 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.729 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CZ ' ' CD1' ' A' ' 330' ' ' LEU . 16.6 t80 -60.6 -31.77 70.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.64 -36.08 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttm -66.95 -56.04 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -27.24 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.68 -45.64 51.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.51 -31.08 66.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.54 -32.99 66.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.533 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -69.28 -43.78 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.732 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.73 -32.26 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -31.38 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.74 -36.48 67.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -67.43 -31.27 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.5 -39.63 85.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -60.43 -31.26 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -63.94 -37.3 86.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.53 97.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -76.86 -36.51 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.48 82.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.807 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m 61.65 153.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -153.63 151.69 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -142.34 139.41 9.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' D' ' 338' ' ' PHE . 1.4 pt? -135.27 152.34 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.91 127.36 9.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.7 147.18 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -118.21 78.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.67 144.99 4.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -75.22 -46.98 30.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.63 -32.07 73.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -65.96 -59.75 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CZ ' ' CD1' ' D' ' 330' ' ' LEU . 16.6 t80 -62.44 -30.69 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.249 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.87 -33.1 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.195 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -68.15 -58.93 3.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.468 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -63.69 -26.39 68.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -77.05 -38.43 52.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.523 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.55 -31.23 57.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.557 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -73.31 -44.76 58.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.03 -34.13 68.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.42 -30.74 60.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 5.5 mt -72.84 -33.62 66.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -66.32 -30.9 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.77 -47.01 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.85 -31.62 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -31.5 66.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.41 -31.19 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -93.38 -40.24 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.93 105.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.498 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' D' ' 328' ' ' PHE . 2.7 mp0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 78.3 p -92.2 152.87 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' D' ' 326' ' ' GLU . 17.2 m-85 -141.41 140.32 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.82 120.49 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.446 ' CD1' ' CZ ' ' C' ' 338' ' ' PHE . 19.9 tp -108.44 132.77 53.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -118.74 82.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.36 146.96 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -114.93 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.82 148.15 6.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -77.81 -63.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.94 -35.86 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 3.3 tpp180 -63.71 -56.61 14.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 330' ' ' LEU . 30.7 t80 -59.64 -32.46 70.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.312 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.26 -59.91 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.164 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 4.1 m-85 -62.3 -24.98 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -77.43 -37.49 51.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.54 -29.58 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.4 -32.12 58.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.669 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.12 -40.21 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.25 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.34 -31.23 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.96 -24.1 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -82.08 -32.86 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.58 -29.09 41.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -30.32 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.699 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.44 -29.69 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.89 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -82.8 -31.63 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.65 83.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.499 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 22.6 t -137.65 143.91 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -121.88 109.55 14.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.55 142.04 15.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' B' ' 338' ' ' PHE . 1.4 pt? -136.35 141.21 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.91 106.15 2.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.64 137.21 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.94 123.48 2.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -67.69 -34.75 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -46.97 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -52.91 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.39 -32.28 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.6 -37.53 87.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.1 ttp -65.36 -55.32 18.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.01 -26.39 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -45.39 64.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.864 0.364 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.63 -30.32 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -39.67 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.67 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -71.26 -34.85 71.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.17 -36.27 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -33.49 63.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.0 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -71.15 -30.57 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.63 -35.79 81.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -31.87 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.4 -32.75 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.86 78.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -75.64 -32.16 60.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -86.92 -173.31 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.516 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' B' ' 328' ' ' PHE . 3.7 tp10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.5 m -67.89 150.06 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' B' ' 326' ' ' GLU . 33.6 m-85 -133.57 147.16 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.81 141.71 15.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.8 122.67 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.16 118.42 5.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.86 138.95 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.066 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -100.65 31.41 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.78 112.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -33.68 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.28 -52.08 15.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.6 ttm180 -58.23 -48.94 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CE2' HD23 ' A' ' 330' ' ' LEU . 16.5 t80 -61.53 -34.01 74.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.597 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.64 -38.17 86.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -57.08 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.342 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.9 m-85 -60.43 -26.93 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -71.73 -41.44 68.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.548 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -30.74 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.483 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -74.99 -31.99 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.688 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -73.34 -40.25 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.95 -31.94 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.8 mt -76.67 -28.65 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -30.33 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.22 -35.03 79.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -60.55 -33.83 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.44 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.82 94.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.28 -178.03 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 18.3 t -79.08 152.78 30.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 16.7 m-85 -133.27 147.13 51.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.82 120.46 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.449 ' CD2' ' CZ ' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -101.05 110.18 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.98 117.41 5.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 18.0 mt -129.61 136.97 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -31.04 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -87.16 137.39 14.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -70.21 -38.17 75.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.66 -53.2 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' HD2' ' C' ' 342' ' ' ARG . 19.6 t80 -60.04 -31.54 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.83 -38.55 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -65.51 -56.85 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.5 m-85 -60.68 -27.05 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.773 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.414 ' HD2' ' CE1' ' C' ' 338' ' ' PHE . 1.7 tpm_? -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.542 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.39 -31.89 60.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.486 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.4 -32.63 60.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.54 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.57 -40.02 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.69 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.32 -38.04 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.694 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.51 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.57 -35.93 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.47 -31.37 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.2 -42.21 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -59.85 -34.52 73.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -64.17 -38.85 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.22 -31.27 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.48 84.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.534 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 22.9 t 62.22 150.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -152.92 150.69 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.49 127.65 9.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.22 118.35 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.78 101.31 2.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.22 139.27 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.05 31.25 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.09 141.96 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -78.17 -36.56 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.46 -49.62 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.9 ttm105 -59.32 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CZ ' ' CD2' ' C' ' 330' ' ' LEU . 35.9 t80 -62.43 -33.46 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.3 -36.79 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -65.85 -55.55 16.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.4 m-85 -59.03 -25.61 63.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -45.26 63.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.599 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -71.2 -31.81 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.68 -30.98 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.47 -40.65 70.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.99 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.684 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.8 71.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.39 -41.64 80.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -24.54 60.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -75.21 -36.97 61.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -29.74 64.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.21 -33.21 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.86 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -32.07 65.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -136.18 101.24 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.478 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 20.5 p -82.24 152.82 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.0 m-85 -131.9 137.85 48.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.23 125.61 8.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -114.79 114.68 25.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.34 82.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.58 108.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 84.69 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.54 142.82 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -77.27 -36.14 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -48.02 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.4 ttm180 -59.54 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -61.23 -32.62 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.51 -37.87 87.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.486 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -57.02 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.324 179.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.5 m-85 -61.64 -26.63 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -72.17 -40.31 68.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.476 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.37 -31.26 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -75.46 -39.79 58.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.89 -30.68 64.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.727 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.46 -36.31 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.15 -31.69 66.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -69.61 -30.71 68.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.78 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.41 -43.06 86.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -60.99 -36.51 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.55 80.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -77.66 -31.62 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.46 126.28 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.456 179.981 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.418 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 4.0 mp0 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 7.5 p -96.15 152.8 18.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 52.2 m-85 -146.86 129.57 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.08 122.03 5.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 6.2 tp -106.1 100.97 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -88.51 116.15 4.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.62 120.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -79.25 -31.24 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -84.76 125.13 7.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -61.49 -47.21 86.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -59.74 -51.71 68.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.0 t80 -60.04 -33.62 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.67 -39.56 91.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -64.45 -55.38 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.2 m-85 -59.13 -25.58 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.002 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -41.75 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.584 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -74.99 -31.25 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 28.4 mt -76.26 -30.31 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.709 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -74.33 -38.02 63.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -74.83 -32.57 61.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.68 -31.16 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -32.61 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -30.32 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.46 75.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.13 -35.46 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.23 -31.72 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.2 -37.16 80.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -77.38 -176.21 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.473 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 93.7 p -92.16 152.12 20.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.404 ' CE2' ' O ' ' C' ' 326' ' ' GLU . 13.8 m-85 -134.36 141.79 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.81 121.35 6.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.409 HD13 ' CE1' ' D' ' 338' ' ' PHE . 1.0 OUTLIER -105.54 135.04 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.76 84.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.33 120.5 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.21 86.5 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.41 142.66 3.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.32 -60.93 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -60.2 -39.02 85.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.427 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 1.6 tpp180 -62.23 -54.57 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 15.7 t80 -60.35 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.343 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.22 -58.17 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.295 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.427 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 4.0 m-85 -60.59 -27.39 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -74.97 -44.97 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.515 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.74 -32.01 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.38 -45.99 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.68 -38.96 87.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.725 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.94 -31.87 71.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -38.72 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.682 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.54 -31.1 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.43 -41.33 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -58.51 -30.88 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.61 -31.5 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.35 -45.18 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.18 -34.68 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.43 133.11 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.0 t 60.67 110.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.416 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.5 m-85 -116.74 146.7 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.65 126.3 8.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 32.2 tp -108.66 143.1 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.32 82.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.84 115.83 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.43 34.03 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.38 125.62 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.03 -36.02 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -73.4 -51.58 16.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -58.41 -49.86 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' C' ' 330' ' ' LEU . 19.7 t80 -61.42 -33.41 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.22 -37.72 86.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.451 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -56.68 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.42 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.3 m-85 -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.22 -42.67 71.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.82 -30.2 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.23 -36.49 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.654 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -39.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.12 -24.09 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -82.06 -33.35 29.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 pp -77.33 -31.0 54.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.805 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.35 -27.56 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.638 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -33.5 74.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -61.08 -33.38 73.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -61.76 -51.1 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -79.27 -46.46 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.13 -65.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.49 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.185 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 4.1 t -69.59 122.52 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 24.7 m-85 -107.99 152.33 24.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.34 132.97 11.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.409 ' HB2' ' CE2' ' B' ' 338' ' ' PHE . 0.8 OUTLIER -116.5 135.9 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.346 . . . . 0.0 110.904 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -92.66 82.55 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -93.59 112.77 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -92.24 80.24 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.85 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -32.92 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.66 -50.36 17.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 3.6 ttm105 -59.15 -51.48 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.734 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -61.86 -32.38 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.0 ttm -66.28 -56.65 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 5.3 m-85 -60.8 -27.73 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.693 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -74.77 -43.97 52.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 -32.03 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -40.49 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.592 179.757 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.64 -40.12 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.659 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.34 -45.09 89.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.62 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.14 -49.56 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.13 -30.61 71.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.41 -43.4 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -66.38 -30.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.17 -31.33 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.53 59.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.53 -37.07 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.96 175.4 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.9 t 60.9 111.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -138.47 143.96 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.37 137.58 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.67 125.92 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.44 99.97 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.26 124.53 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -83.38 77.47 9.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 117.59 0.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -45.27 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.88 -49.28 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 1.5 tpp180 -59.41 -50.95 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.787 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 16.5 t80 -62.29 -33.08 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.453 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.44 -37.1 84.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.38 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.2 -58.27 6.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.261 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.435 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.0 m-85 -59.87 -28.02 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -73.51 -42.5 61.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.94 -31.35 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.0 mt -70.85 -34.69 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -44.89 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.12 -30.5 66.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.755 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.5 -34.31 58.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.29 -30.05 63.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.5 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -41.58 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -69.93 -29.24 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.9 -31.42 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.64 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.33 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.62 33.71 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 4.6 t -139.02 149.74 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -152.72 112.93 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.89 114.84 4.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.418 ' HG ' ' CZ ' ' D' ' 338' ' ' PHE . 0.7 OUTLIER -99.7 132.16 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.943 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.67 83.25 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -91.22 115.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -92.32 76.68 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.78 143.84 6.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -78.36 -48.49 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.22 -43.51 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.2 ttm180 -61.23 -53.79 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 16.4 t80 -61.26 -31.74 71.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.27 -36.14 83.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.8 mtp -67.4 -56.28 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.7 m-85 -62.88 -25.46 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -76.98 -41.69 41.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.59 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.01 -30.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.0 tp -75.42 -29.87 59.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -74.57 -40.9 61.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -34.54 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.94 -34.17 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.45 -29.98 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.72 -30.76 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.89 -37.01 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -58.19 -35.97 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.58 -41.09 89.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.3 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -79.87 -32.79 40.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.1 84.07 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.535 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 25.2 t 60.26 92.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.418 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 9.8 m-85 -105.29 123.81 48.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.27 141.8 17.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.07 132.55 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.4 82.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -89.64 110.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -83.9 77.26 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.35 114.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.82 -37.47 82.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.45 -47.25 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -51.62 69.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.418 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 17.0 t80 -60.65 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.62 -37.76 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.11 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 179.507 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.414 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.57 -26.67 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -71.38 -44.9 64.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -29.52 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -36.9 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.628 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.07 -39.37 82.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.753 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.14 -39.01 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.12 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.49 -29.57 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.8 -31.13 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.89 -42.82 57.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -29.07 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.59 -31.2 52.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.09 62.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.62 -31.48 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.55 85.17 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.494 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 17.5 t -130.26 151.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 13.8 m-85 -147.64 138.32 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.4 139.09 14.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.408 ' HB2' ' CE1' ' B' ' 338' ' ' PHE . 1.1 tt -128.4 127.02 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.63 82.14 0.84 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 25.4 mm -77.55 123.67 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 36.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.42 135.54 7.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -67.36 -66.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.27 -36.48 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 11.6 ttm180 -62.7 -55.25 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.95 -36.0 76.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.26 -35.42 77.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -66.4 -57.28 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.423 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.429 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.59 -27.54 68.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -41.16 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.38 -30.35 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -74.18 -32.27 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.75 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.48 -41.47 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.67 -32.0 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.769 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.69 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.09 -28.73 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.46 -29.56 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.781 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.24 -34.62 76.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -62.4 -31.44 72.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -31.47 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.06 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -86.53 -31.7 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.79 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.529 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 11.7 p 59.42 108.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -113.11 142.0 46.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.05 115.9 4.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.16 135.56 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.41 86.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.93 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -124.29 74.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 159.5 146.52 4.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -76.7 -45.3 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -61.4 -45.91 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.85 -53.85 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 179.844 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 15.7 t80 -62.11 -31.82 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.404 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.29 -36.5 83.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.361 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -66.68 -58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.275 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 3.5 m-85 -63.22 -25.86 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -76.73 -38.51 54.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.562 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.3 -30.3 57.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.23 -30.93 60.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -74.6 -41.82 59.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.72 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.76 -31.78 68.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.29 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.56 -31.88 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.664 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -31.07 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.74 -45.08 87.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -32.78 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -66.57 -33.38 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 110.9 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.531 179.992 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.853 0.358 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.9 m 61.16 112.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -125.74 142.62 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.3 123.16 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' D' ' 338' ' ' PHE . 3.4 tt -109.14 135.92 49.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.06 115.4 5.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.84 129.82 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -111.08 33.04 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.0 140.81 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -77.63 -41.64 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.49 -48.39 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 6.6 ttm180 -59.2 -50.82 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -60.53 -31.33 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.648 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -40.34 97.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 27.8 mtm -64.25 -54.28 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -58.75 -28.01 65.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -73.72 -49.79 23.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.557 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -30.97 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.471 179.543 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.36 -38.61 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.766 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.724 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.63 -30.23 61.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.26 -28.95 57.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.29 -29.53 62.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.37 -45.34 47.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -28.53 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.96 -30.99 44.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.45 -31.18 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -83.98 -33.54 24.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.15 158.35 31.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.491 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.786 0.327 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.28 109.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.46 144.85 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.01 137.48 13.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.77 122.5 41.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.15 82.93 0.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -84.61 126.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 33.48 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.83 143.11 11.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -77.35 -42.56 36.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -51.81 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' C' ' 330' ' ' LEU . 17.1 t80 -59.3 -33.08 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -41.02 96.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 mtm -65.69 -55.98 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.288 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -63.24 -26.05 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -76.65 -42.28 42.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.562 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -31.98 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.26 -31.1 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.607 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.66 -43.22 66.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.47 -34.93 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.52 -29.47 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.17 -37.71 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.79 -28.3 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.81 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.43 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -74.26 -29.35 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.11 -30.71 55.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.77 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -33.63 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.99 140.57 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.12 112.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.9 m-85 -128.31 137.65 52.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.55 103.19 2.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.7 tp -88.87 123.49 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.33 3.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.37 153.57 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -134.63 50.61 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.46 19.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -60.61 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -37.73 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.401 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.3 OUTLIER -63.36 -56.83 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' CB ' ' B' ' 328' ' ' PHE . 23.0 t80 -60.83 -31.62 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.39 -36.82 83.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.4 mtm -66.25 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.022 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.401 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.8 m-85 -60.1 -23.73 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -73.35 -42.95 61.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.384 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.45 -32.04 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -33.68 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 179.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.406 ' OD1' ' CE1' ' B' ' 341' ' ' PHE . 10.2 m-20 -68.83 -43.28 75.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -72.72 -31.71 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.86 52.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.29 -30.08 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -72.72 -31.04 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.9 -36.72 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -61.45 -35.15 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -40.54 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.27 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.0 -31.85 61.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.96 161.6 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.62 101.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.443 ' CB ' ' CD1' ' A' ' 338' ' ' PHE . 22.1 m-85 -110.71 145.46 37.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -133.72 144.39 16.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 338' ' ' PHE . 1.9 pt? -144.08 134.65 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.04 9.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.29 140.07 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -98.8 31.14 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.01 135.85 9.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -78.19 -38.77 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -72.01 -49.66 35.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -59.41 -52.24 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.728 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 40.0 t80 -61.78 -33.02 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -38.02 88.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.542 179.638 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -64.8 -55.84 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.25 -25.36 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.052 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -72.71 -31.05 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.714 179.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.39 -42.76 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.56 -31.38 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.65 -33.39 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.07 -31.35 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -34.4 77.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -61.67 -35.83 79.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.63 -38.66 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.85 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -74.97 -31.57 61.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.37 37.78 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.5 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 27.4 p -102.73 136.11 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -105.97 97.68 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.26 153.49 26.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' D' ' 338' ' ' PHE . 1.5 pt? -157.96 152.59 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.23 84.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.79 126.5 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -94.0 147.24 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.26 136.53 6.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -75.06 -30.63 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.27 -49.16 36.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -51.63 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -62.25 -35.17 78.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.44 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.0 -35.48 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -65.95 -57.85 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.297 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.406 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 6.2 m-85 -59.07 -23.5 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.583 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.83 -29.72 61.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 89.2 mt -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.743 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -75.26 -42.68 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.03 -30.73 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.766 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.86 -30.95 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.84 -29.67 56.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -73.15 -30.82 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.23 -36.0 78.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.81 -36.92 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.79 -31.55 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.79 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.56 -49.86 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.79 84.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.527 -179.985 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.415 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 3.5 mm-40 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.1 p -91.96 141.51 28.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 25.1 m-85 -141.36 118.2 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.79 165.01 53.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.34 135.8 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -111.81 90.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -104.37 128.46 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -95.18 71.22 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.35 134.42 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -77.26 -31.65 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -71.21 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -58.24 -42.04 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.422 ' CE2' HD23 ' C' ' 330' ' ' LEU . 15.9 t80 -67.98 -30.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.404 ' HA ' ' CG ' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.1 mtp -73.45 -51.0 18.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.382 179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.406 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 2.0 m-85 -67.09 -29.45 69.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.41 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.404 ' CG ' ' HA ' ' D' ' 339' ' ' GLU . 4.2 ppt_? -83.27 -34.3 25.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.865 0.364 . . . . 0.0 110.387 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.89 -30.54 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.255 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.4 -37.21 57.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -70.09 -38.42 75.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.5 -42.22 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.42 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.768 179.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.3 -25.53 51.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -79.83 -35.21 38.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.82 -31.64 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -28.24 47.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.746 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.75 -30.61 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -69.67 -46.74 65.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.02 98.26 10.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.494 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.823 0.344 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m 62.74 147.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -153.22 152.59 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.33 143.09 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.444 ' CD2' ' CE1' ' B' ' 338' ' ' PHE . 1.1 pt? -136.45 151.71 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -121.45 86.48 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -74.68 144.82 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -98.61 34.25 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.35 119.97 1.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.46 -34.83 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -71.89 -49.33 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -50.9 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD22 ' B' ' 330' ' ' LEU . 17.4 t80 -60.39 -32.17 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -62.58 -40.08 95.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.0 mtm -66.06 -55.95 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.286 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.31 -25.69 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -73.69 -41.05 63.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.593 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -74.37 -31.77 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.51 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.61 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.679 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.406 ' OD1' ' CE2' ' B' ' 341' ' ' PHE . 3.5 m120 -71.43 -39.32 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.6 -35.9 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.21 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -30.83 58.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.2 -31.43 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.799 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.23 -33.81 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -61.63 -34.04 74.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.23 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.38 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -75.35 -33.68 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.1 160.02 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.518 -179.982 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.838 0.351 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 t 60.89 111.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 15.6 m-85 -122.89 147.64 46.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.63 133.42 6.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 338' ' ' PHE . 3.8 pp -135.2 149.11 49.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.14 157.12 20.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -143.49 135.74 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.62 34.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.75 129.74 2.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -69.91 -32.49 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.71 -47.02 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -59.79 -51.69 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.748 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 330' ' ' LEU . 17.5 t80 -60.43 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.647 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.86 -38.68 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.515 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -65.78 -55.95 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.413 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 345' ' ' ASN . 3.2 m-85 -61.22 -25.7 67.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -75.98 -45.78 33.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.54 -30.19 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.438 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.76 -31.0 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.618 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -44.04 64.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.74 179.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.48 -32.33 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.45 56.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.5 mt -75.05 -32.45 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.7 -30.63 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -36.47 80.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -64.57 -31.87 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.85 -35.84 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -35.31 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.94 -41.25 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.3 80.3 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.82 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 44.8 t -142.94 151.04 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.405 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.3 m-85 -142.2 143.95 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.85 134.5 12.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -105.22 105.74 15.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.89 2.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 23.7 mt -132.1 148.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -105.53 36.41 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.51 131.86 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -77.42 -36.56 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.56 -54.81 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -57.83 -47.45 82.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.76 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 74.9 t80 -62.45 -34.66 77.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 179.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -60.91 -38.71 86.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.4 ttp -64.67 -55.99 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.8 m-85 -60.94 -28.9 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.02 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -75.65 -42.79 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -31.59 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -33.4 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.6 -42.97 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.41 -31.39 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.89 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.0 mt -75.86 -31.41 59.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.34 -30.72 65.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.9 -41.26 71.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -63.95 -31.42 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.15 -32.78 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.69 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -91.08 -34.41 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.95 101.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.515 -179.971 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.363 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.52 102.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 26.1 m-85 -109.39 147.93 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -114.92 142.27 17.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.95 137.46 47.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.1 82.5 0.37 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -86.96 117.74 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -94.91 76.83 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.94 133.76 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -71.09 -35.55 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.39 -49.69 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.92 72.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 50.5 t80 -60.67 -32.19 71.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.33 -39.11 91.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -56.92 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 2.9 m-85 -62.41 -26.97 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.761 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -76.54 -43.17 40.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.565 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -71.72 -31.67 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -35.0 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.93 -43.4 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.17 -31.17 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.21 -31.67 62.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.67 -38.37 67.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.3 -28.96 66.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.88 -43.78 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -70.35 -30.8 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.55 -31.44 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.35 67.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.27 -36.08 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.65 124.89 32.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.509 179.987 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 21.4 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.871 0.367 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.43 151.11 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 15.4 m-85 -137.7 122.39 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.57 116.05 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.37 122.43 46.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -87.73 133.64 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -116.44 77.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.07 140.22 3.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -73.62 -64.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -59.95 -36.28 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.9 ttm180 -63.86 -56.48 15.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 19.2 t80 -60.13 -31.07 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.04 -36.55 84.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.454 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.03 -57.35 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -63.02 -26.1 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -77.41 -41.91 38.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.45 -29.81 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -34.12 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.681 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -71.33 -39.36 71.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.88 -38.0 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.5 -31.75 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.88 -30.19 62.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.51 -30.55 68.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.799 179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.33 -39.87 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -59.55 -36.1 75.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.26 -38.76 92.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.75 -31.19 61.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -81.93 -31.57 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -133.86 111.3 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.383 -1.231 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.819 0.343 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.1 p -75.29 109.73 9.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 26.0 m-85 -104.89 152.42 22.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.49 110.63 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 tt -101.16 128.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.26 95.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.21 126.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.0 31.96 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.7 129.27 4.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -68.05 -39.45 83.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -71.95 -48.15 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -59.13 -51.05 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -60.21 -33.18 71.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.82 -38.91 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.503 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.77 -56.52 13.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.5 m-85 -60.4 -28.46 68.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -72.61 -44.2 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.58 -31.07 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.423 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -36.41 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -68.34 -43.91 76.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.68 -37.55 67.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.21 -25.16 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.61 -35.01 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -72.13 -29.07 63.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.49 -31.75 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -64.83 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -41.53 97.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.1 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 137.19 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.538 179.994 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.418 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 28.5 mt-10 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.829 0.347 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.03 152.82 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 28.8 m-85 -142.1 136.9 30.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -110.96 144.01 17.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.42 ' HB2' ' CZ ' ' D' ' 338' ' ' PHE . 6.4 tp -141.26 131.06 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.44 131.54 10.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.0 mp -132.84 144.61 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -108.65 38.26 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.36 11.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -78.18 -46.92 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.05 -41.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.419 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 13.2 ttp180 -62.48 -55.43 27.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -63.82 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.355 179.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -32.91 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.313 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -68.35 -57.65 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 179.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.8 m-85 -63.96 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -76.86 -37.44 55.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.67 -30.77 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.78 -32.54 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -73.87 -38.44 64.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.74 -31.74 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.4 -30.84 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mt -77.88 -30.26 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.756 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.75 -28.15 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.82 -40.25 65.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -65.66 -29.52 70.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.46 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.26 68.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.16 -35.16 79.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.55 121.3 44.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 40.6 t -131.56 152.89 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -134.19 136.31 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.99 132.0 10.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.62 109.99 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.91 116.7 5.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.59 151.26 34.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.28 34.8 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.6 122.56 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.09 68.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.42 -48.83 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 7.6 ttm180 -59.54 -51.83 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' C' ' 330' ' ' LEU . 23.5 t80 -61.04 -31.61 71.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -63.36 -38.5 91.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttm -65.09 -55.72 17.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.362 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.422 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.1 m-85 -58.87 -28.01 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -74.27 -49.02 24.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.73 -30.45 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.357 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.88 -41.96 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.556 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.82 -40.52 95.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -72.54 -35.01 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.22 -32.05 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.08 -30.71 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.732 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -30.79 67.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.97 -35.95 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -35.86 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -40.02 89.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.16 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.05 -38.26 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.61 -169.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 11.2 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.792 0.329 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 28.5 p -77.61 131.56 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 55.5 m-85 -126.68 136.18 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -77.72 146.45 31.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -131.81 141.0 49.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.52 82.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.7 mm -92.51 134.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.71 31.13 3.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.14 125.21 3.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.25 87.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -49.76 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.6 ttm180 -59.1 -50.8 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' B' ' 330' ' ' LEU . 33.8 t80 -61.16 -32.51 72.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.542 179.7 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.7 -39.33 93.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.31 -54.67 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -58.91 -27.57 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -45.2 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 179.781 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.79 -31.52 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.15 -31.97 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.648 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.48 -44.12 68.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.12 -31.04 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.12 -32.18 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.01 -35.51 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.45 -30.82 69.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.89 -41.98 81.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -60.21 -31.63 70.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -31.67 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.51 -39.22 62.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -75.86 -31.92 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.28 86.49 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.483 -179.959 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 m -130.41 152.87 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.407 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.3 m-85 -137.04 139.31 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.09 134.72 12.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 1.4 tt -130.53 139.07 50.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.39 90.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -89.14 125.75 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -98.03 75.84 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.94 129.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -32.75 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.13 -54.34 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.6 ttm180 -58.29 -46.97 85.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.26 -32.35 73.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.506 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttm -65.42 -54.99 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.459 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -74.6 -46.09 40.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -70.88 -31.81 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.62 -31.22 64.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.656 179.703 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -70.67 -43.33 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -70.35 -35.74 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.67 -30.54 64.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.956 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.24 -36.37 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.06 -30.22 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.59 -45.0 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -30.58 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -73.35 -31.28 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.39 -31.15 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -78.75 -38.57 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.46 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.474 -179.994 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.823 0.344 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.8 111.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -132.34 129.3 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.25 122.3 6.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 1.2 tt -102.74 111.91 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.35 82.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -89.97 136.1 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.325 . . . . 0.0 111.083 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -123.54 31.28 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.82 144.95 14.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -77.01 -47.18 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -65.64 -41.91 92.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.411 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.17 -53.65 54.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.779 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' D' ' 330' ' ' LEU . 18.9 t80 -59.59 -31.81 69.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.02 -38.82 92.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.503 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttm -65.04 -55.63 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.5 m-85 -60.56 -28.07 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.49 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.557 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -37.26 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -37.14 72.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.469 179.637 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -64.72 -35.75 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.643 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.51 -50.89 63.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.536 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.35 -29.12 70.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 tp -66.13 -39.99 90.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.07 -30.51 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -31.46 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.17 -32.0 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.47 -31.79 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.37 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.63 -170.0 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.537 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.5 m -151.67 111.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -98.82 152.65 19.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -129.05 136.87 9.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.419 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 1.1 tt -126.85 123.93 38.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.15 87.55 0.84 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.15 131.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.31 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.16 138.6 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -76.43 -52.02 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -44.66 89.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.43 ' HD3' ' CZ ' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.44 -50.79 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' D' ' 342' ' ' ARG . 77.7 t80 -56.97 -37.26 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.09 -42.29 90.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.352 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mtm -64.61 -58.24 6.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.021 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HD3' ' D' ' 337' ' ' ARG . 6.2 m-85 -58.86 -22.65 59.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.468 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -74.56 -47.4 32.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.435 179.539 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.86 -31.46 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.66 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -46.22 67.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.46 -31.79 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.07 60.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.86 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.24 -30.87 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.03 -48.74 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -66.81 -29.65 69.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -72.78 -31.47 64.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.91 63.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -76.66 -42.63 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.05 -169.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.524 179.986 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 12.5 m -137.49 152.8 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -147.63 135.37 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.03 120.45 6.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' B' ' 338' ' ' PHE . 0.7 OUTLIER -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -114.78 101.44 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.85 146.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.91 77.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.73 3.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -76.96 -33.65 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -47.26 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.444 ' CE2' ' CG ' ' A' ' 342' ' ' ARG . 91.3 t80 -60.88 -31.63 71.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -37.17 86.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttm -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.278 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 -23.81 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.444 ' CG ' ' CE2' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -71.39 -41.71 69.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.542 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.29 -31.84 62.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -32.02 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.573 179.71 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -71.74 -39.89 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.42 -36.54 71.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.1 -33.26 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.89 -31.87 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.57 -31.35 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.6 -46.07 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -31.16 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.06 -39.02 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.92 -31.78 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -127.14 124.97 40.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.528 -179.988 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.821 0.344 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 3.6 m 60.99 112.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -121.94 136.46 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.28 149.57 16.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 338' ' ' PHE . 1.7 pp -143.57 150.01 38.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.72 114.98 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 332' ' ' ILE . 26.8 mm -112.86 123.14 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -98.83 33.06 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.3 138.51 7.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -76.81 -35.57 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.61 -47.54 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.2 ttm105 -59.76 -51.38 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.778 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 330' ' ' LEU . 15.8 t80 -62.25 -33.85 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.42 -36.12 82.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -56.52 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.1 m-85 -59.71 -25.72 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -76.34 -48.17 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.457 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.64 -31.76 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.402 ' CD1' ' CD2' ' C' ' 344' ' ' LEU . 2.7 mm? -71.62 -45.65 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.373 179.478 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -62.34 -35.03 77.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.705 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -42.37 61.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.06 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.03 -30.57 61.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.7 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.33 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.1 -33.89 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.87 -43.86 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -82.41 -40.01 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.51 -174.9 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.432 -1.205 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.824 0.345 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.25 109.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 18.5 m-85 -133.76 151.84 51.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 139.37 14.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.1 tp -133.13 118.7 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.27 120.05 6.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.28 126.9 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.044 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -75.7 -31.17 59.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.1 130.91 22.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -76.12 -44.6 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.55 -51.84 63.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.438 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 1.6 tpp180 -58.53 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' D' ' 328' ' ' PHE . 52.5 t80 -62.27 -33.18 74.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.62 -36.55 83.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.347 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.2 ttm -65.45 -58.13 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.438 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.2 m-85 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -71.5 -42.09 68.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.98 -32.32 73.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.402 ' CD2' ' CD1' ' B' ' 344' ' ' LEU . 0.3 OUTLIER -67.66 -43.43 80.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.649 179.719 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.86 -47.37 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.99 -26.45 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.38 -43.8 72.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.2 -24.31 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.83 -38.86 57.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.22 -29.17 65.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.53 -39.84 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.23 -31.18 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.47 51.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.28 88.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.531 179.994 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.2 m 62.2 117.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' D' ' 328' ' ' PHE . 3.8 m-85 -129.08 142.46 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.41 133.8 12.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' C' ' 338' ' ' PHE . 11.8 tp -118.12 129.81 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.49 82.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.58 129.66 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.41 32.2 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.18 126.68 3.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.24 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.34 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -37.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 42.4 t80 -66.58 -40.09 88.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -59.94 -34.99 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -56.39 11.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.429 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.1 m-85 -61.51 -31.04 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.8 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -76.36 -43.09 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.5 -30.95 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.51 -38.84 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.51 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -64.09 -43.85 94.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.45 73.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.8 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 4.1 tp -68.1 -36.88 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.676 179.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -31.1 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -37.86 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.72 -31.35 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.31 -31.55 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.37 -31.13 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.12 -38.87 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.48 113.37 24.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.53 179.969 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 8.7 t -153.43 150.33 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -135.88 133.2 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.38 133.03 11.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -133.82 140.18 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -126.83 126.95 5.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.83 132.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.25 -30.94 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -71.04 119.95 8.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -36.49 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.91 -48.19 72.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.08 -49.56 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.417 ' CE2' HD23 ' B' ' 330' ' ' LEU . 15.6 t80 -58.67 -35.69 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.75 -41.88 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.303 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mmm -64.8 -58.91 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.07 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HD3' ' A' ' 337' ' ' ARG . 6.3 m-85 -60.36 -25.09 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.525 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -78.12 -46.17 21.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.342 . . . . 0.0 110.451 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.07 -30.33 68.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.409 179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.62 -40.78 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.507 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -62.98 -41.35 99.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.748 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.19 -41.23 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.81 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 23.8 mt -71.35 -33.59 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.8 -30.64 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -63.6 -32.68 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -33.4 75.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.11 -30.48 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -73.24 -35.82 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.06 79.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.35 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 t 61.26 113.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.1 m-85 -126.81 150.94 48.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.53 149.84 17.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.417 HD23 ' CE2' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -140.26 133.44 29.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.04 82.34 0.44 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 25.0 mm -83.09 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -105.16 30.91 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.58 133.43 6.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.78 52.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.05 -56.85 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -58.38 -42.51 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.798 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 330' ' ' LEU . 24.9 t80 -65.18 -35.56 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.671 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -62.44 -37.2 84.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -54.18 32.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.482 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.72 -28.82 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -47.36 61.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.73 -40.34 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.35 -40.84 98.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.76 -45.86 90.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.62 -30.82 70.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.55 -46.44 85.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.018 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.82 -43.56 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.747 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.0 -31.03 69.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.71 -31.86 59.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -72.29 -31.36 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.83 -31.45 70.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.91 -31.23 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.9 -44.54 16.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.52 -179.66 7.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.512 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m -162.89 152.35 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -144.61 125.98 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.21 143.77 15.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 12.9 tp -133.75 132.88 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -93.84 82.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.475 HD11 HG22 ' C' ' 332' ' ' ILE . 24.4 mm -76.07 124.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.59 118.95 0.94 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -60.01 -39.87 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.78 -47.54 45.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -59.78 -50.92 71.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' D' ' 330' ' ' LEU . 16.1 t80 -60.96 -33.07 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.16 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.543 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.28 -54.17 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.17 -27.73 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -73.94 -46.56 43.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.32 -31.63 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.624 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.24 -30.83 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.37 -41.77 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.27 -39.35 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.41 -30.94 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -30.3 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.867 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.28 -29.71 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 mp -68.57 -47.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -61.46 -29.95 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.87 -40.28 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.03 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -73.08 -31.58 64.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.12 35.38 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.466 -179.942 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 98.3 p -102.35 149.06 24.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 27.4 m-85 -143.54 137.06 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.16 114.59 4.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 1.0 OUTLIER -98.42 134.48 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.8 116.08 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -98.98 31.27 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.05 121.34 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.71 -43.81 97.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -46.94 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.425 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 6.1 ttm180 -59.85 -52.44 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 16.9 t80 -60.68 -31.76 71.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.09 -37.58 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtm -66.26 -56.87 9.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.374 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.1 m-85 -61.45 -26.12 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -73.48 -42.33 62.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -73.16 -31.4 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -31.32 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -71.86 -42.1 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -72.22 -31.54 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.17 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.66 -34.05 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.76 -30.68 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.2 -38.42 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -62.39 -31.21 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.83 -35.0 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.19 62.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -37.56 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.2 78.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.501 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 13.1 m-85 -130.22 111.89 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.55 149.05 29.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.7 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.4 OUTLIER -120.92 117.49 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.55 86.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.7 ' CD1' HD22 ' A' ' 330' ' ' LEU . 3.5 mp -96.93 141.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.5 33.05 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.2 118.8 1.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -60.0 -37.65 80.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.94 -43.52 71.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.678 ' HG3' HD22 ' B' ' 348' ' ' LEU . 2.7 mmt-85 -60.02 -53.29 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CE1' HD12 ' B' ' 330' ' ' LEU . 16.1 t80 -57.93 -33.78 69.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.61 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.51 -41.9 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.386 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.602 ' O ' HD13 ' A' ' 344' ' ' LEU . 9.2 mtm -65.24 -58.76 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.931 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' B' ' 344' ' ' LEU . 13.4 m-85 -60.47 -25.51 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.098 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 19.9 ttt180 -78.18 -43.87 27.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.496 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -30.37 69.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.421 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 348' ' ' LEU . 7.0 mp -70.4 -43.65 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -66.2 -40.45 90.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -74.33 -34.59 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.518 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -77.08 -30.53 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -76.2 -29.8 57.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.73 -29.91 65.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.66 -35.23 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -36.18 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -40.18 89.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.51 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.8 151.64 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -111.76 152.82 17.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.731 HD22 ' CG1' ' B' ' 332' ' ' ILE . 0.5 OUTLIER -133.85 134.81 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 87.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.731 ' CG1' HD22 ' B' ' 330' ' ' LEU . 24.0 mt -110.84 127.44 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -99.29 32.35 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.54 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -114.8 110.34 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.488 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -73.66 -50.64 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.71 ' HD2' HD13 ' A' ' 348' ' ' LEU . 1.5 tpp180 -59.12 -50.99 71.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 342' ' ' ARG . 92.0 t80 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.465 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.65 -34.87 78.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -67.02 -58.2 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.264 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.433 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.9 m-85 -60.23 -26.45 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 2.5 mmt180 -69.74 -37.18 76.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -32.57 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.561 HD21 HD21 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -69.17 -40.85 77.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.634 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.488 ' OD1' HG23 ' A' ' 332' ' ' ILE . 12.8 t30 -63.65 -42.41 98.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.83 -45.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.559 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.28 -29.37 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.736 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.678 HD22 ' HG3' ' A' ' 337' ' ' ARG . 10.8 tp -68.16 -38.96 82.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.747 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.98 -29.93 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.22 -34.25 74.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -63.16 -31.59 72.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -33.53 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.48 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -137.27 121.91 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.94 6.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.56 HD23 HD11 ' C' ' 332' ' ' ILE . 15.1 tp -100.42 113.14 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.46 85.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.56 HD11 HD23 ' C' ' 330' ' ' LEU . 3.5 mp -93.02 139.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 31.05 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.518 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -126.63 120.45 3.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -64.34 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -55.65 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -58.34 -47.16 84.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 28.6 t80 -63.2 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -38.4 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.406 ' HG2' HD12 ' C' ' 344' ' ' LEU . 5.7 ttm -65.41 -56.07 14.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.307 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.4 m-85 -59.42 -28.05 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -68.5 -43.39 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.32 -29.77 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.57 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.797 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -75.02 -31.85 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.71 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.542 HD22 HG12 ' D' ' 332' ' ' ILE . 2.5 t30 -72.59 -40.31 66.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.04 -36.44 72.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.797 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -73.63 -33.34 64.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.6 -31.17 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.67 -38.39 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -62.44 -39.89 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 -32.98 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.34 67.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 4.9 m-85 -130.92 125.74 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.39 118.02 4.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.12 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.03 123.64 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.542 HG12 HD22 ' C' ' 345' ' ' ASN . 23.4 mt -132.8 144.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 36.42 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.02 129.32 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -31.32 59.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.24 -49.07 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -59.16 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 47.3 t80 -60.58 -32.72 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.604 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.46 -38.92 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.57 ' HE1' HD22 ' C' ' 344' ' ' LEU . 10.4 ttp -64.55 -55.67 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' D' ' 332' ' ' ILE . 5.1 m-85 -59.15 -25.17 63.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.021 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -45.52 57.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.649 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.586 ' OE1' HD21 ' A' ' 348' ' ' LEU . 2.3 tm-20 -71.83 -31.09 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.649 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' D' ' 348' ' ' LEU . 91.4 mt -75.07 -31.25 61.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.754 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.03 -39.92 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -71.15 -31.68 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.7 mm? -70.51 -36.87 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -67.15 -30.85 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.16 -38.52 85.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.518 ' CE ' ' HB2' ' A' ' 347' ' ' ALA . 26.3 mttm -60.16 -34.49 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.82 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.61 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 10.8 m-85 -136.28 135.67 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.63 5.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.0 OUTLIER -107.19 133.53 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.486 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -110.29 85.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.528 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.781 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.9 mm -75.23 152.98 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -129.71 75.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.05 133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -60.89 -45.92 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.85 -40.44 72.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.825 ' HD2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -62.57 -55.7 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -61.13 -32.12 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.302 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.59 -36.11 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mtm -66.71 -60.07 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.49 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.83 -24.09 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -76.83 -40.99 45.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.26 -32.05 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.616 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.871 ' CD1' HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -73.96 -32.12 63.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.664 179.793 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -71.35 -40.09 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.23 -39.53 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.89 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.1 mt -73.18 -31.63 64.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.788 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.72 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.67 -35.34 80.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -60.38 -33.14 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -34.27 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.56 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.773 0.321 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -143.34 114.03 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -73.19 145.83 36.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.617 HD22 HD13 ' B' ' 332' ' ' ILE . 1.4 tt -131.6 138.27 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 331' ' ' GLY . . . . . 0.606 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -85.34 82.63 1.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.617 HD13 HD22 ' B' ' 330' ' ' LEU . 26.0 mm -89.28 153.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -147.35 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.63 129.12 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -60.37 -65.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.25 -37.05 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.864 ' HD3' HD13 ' A' ' 348' ' ' LEU . 15.1 ttp180 -64.2 -57.41 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.448 ' HB2' HG21 ' B' ' 332' ' ' ILE . 15.2 t80 -64.14 -31.31 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.0 -32.32 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.59 ' O ' HD23 ' B' ' 344' ' ' LEU . 7.1 ttm -68.75 -57.07 6.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.331 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 3.3 m-85 -60.88 -25.3 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -76.38 -45.76 30.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.539 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -68.27 -32.19 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.289 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.774 ' O ' HD12 ' B' ' 348' ' ' LEU . 4.1 mm? -71.66 -44.94 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -62.89 -34.02 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.814 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.24 -44.4 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.649 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' C' ' 351' ' ' LYS . . . -70.63 -31.15 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.825 HD13 ' HD2' ' A' ' 337' ' ' ARG . 0.4 OUTLIER -73.66 -35.33 65.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.02 -23.68 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.424 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' B' ' 350' ' ' LEU . 11.2 tp -77.81 -33.42 52.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.548 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 0.3 OUTLIER -73.93 -31.02 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.1 -31.51 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.9 m-85 -135.64 151.02 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -97.89 138.54 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.51 HD23 ' N ' ' C' ' 331' ' ' GLY . 1.4 tt -136.85 135.29 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 331' ' ' GLY . . . . . 0.51 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -100.23 82.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.56 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.7 mp -71.26 85.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -72.53 75.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.21 140.74 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.35 -56.04 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.04 -36.39 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.536 ' HE ' HD13 ' D' ' 348' ' ' LEU . 50.2 mmt-85 -60.85 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' D' ' 330' ' ' LEU . 59.1 t80 -54.62 -37.11 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.799 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.12 -43.11 91.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.343 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.9 mmm -66.07 -58.52 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.908 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 6.0 m-85 -61.33 -19.94 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.342 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -79.36 -39.88 31.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.585 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.95 -31.99 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.753 ' O ' HD12 ' C' ' 348' ' ' LEU . 13.5 mt -74.43 -36.01 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.427 ' OD1' HG23 ' D' ' 332' ' ' ILE . 13.2 m-20 -69.97 -34.84 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.47 -42.58 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.548 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -71.54 -30.95 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.789 HD13 ' CG ' ' D' ' 337' ' ' ARG . 0.6 OUTLIER -74.24 -29.84 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.17 -31.36 68.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.25 -39.69 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.459 ' HD2' ' HB2' ' B' ' 347' ' ' ALA . 26.7 mtpt -65.14 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.76 -32.51 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.71 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -97.68 126.6 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -74.68 135.78 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.607 HD23 ' N ' ' D' ' 331' ' ' GLY . 1.9 tt -140.77 128.46 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 331' ' ' GLY . . . . . 0.607 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -96.32 100.15 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.555 HG13 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -98.64 137.96 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.49 77.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.53 125.72 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -65.04 -43.99 90.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.01 -43.49 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.789 ' CG ' HD13 ' C' ' 348' ' ' LEU . 6.4 ttm180 -60.59 -53.03 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.7 t80 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.598 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.08 -35.91 80.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.412 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mtm -66.0 -57.6 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.3 m-85 -60.87 -28.2 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -75.87 -44.35 41.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.604 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.41 -30.76 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.871 HD21 ' CD1' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.64 -32.56 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.665 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.79 -41.86 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.2 -30.75 58.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.89 -28.08 36.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.997 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.737 HD23 ' HD3' ' D' ' 351' ' ' LYS . 15.9 mt -80.63 -29.87 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.12 -27.07 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.36 -35.23 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.737 ' HD3' HD23 ' D' ' 348' ' ' LEU . 12.9 ptmm? -72.57 -31.5 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.7 -31.21 57.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.14 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 26.9 m-85 -100.98 118.96 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.86 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' B' ' 342' ' ' ARG . 1.2 tt -150.57 113.91 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.18 94.95 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.674 HG23 ' OD1' ' B' ' 345' ' ' ASN . 24.1 mt -110.01 127.28 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -107.66 30.8 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.596 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -122.12 110.78 1.67 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -33.3 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.999 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -73.98 -62.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.635 ' HB3' HD13 ' B' ' 348' ' ' LEU . 12.0 ptp180 -57.22 -40.01 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -66.66 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.63 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -53.07 52.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.664 ' HB2' HD11 ' B' ' 330' ' ' LEU . 3.7 m-85 -59.24 -30.23 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -70.64 -47.23 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.25 -30.69 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.796 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.89 -36.15 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 179.676 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.12 -43.04 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 350' ' ' LEU . 15.5 tt0 -70.42 -35.07 73.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.51 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.761 HD13 ' HD3' ' B' ' 337' ' ' ARG . 1.8 mt -72.04 -28.92 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.16 -28.15 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.6 OUTLIER -72.41 -50.03 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -28.78 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.29 -33.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.94 50.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -153.61 137.21 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.86 6.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.774 HD22 ' CD1' ' B' ' 332' ' ' ILE . 0.8 OUTLIER -107.58 136.96 46.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 331' ' ' GLY . . . . . 0.566 ' H ' HD23 ' B' ' 330' ' ' LEU . . . -132.87 90.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.774 ' CD1' HD22 ' B' ' 330' ' ' LEU . 3.5 mp -95.07 146.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.1 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -110.89 77.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.32 147.67 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.24 -52.97 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.17 -42.72 93.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.761 ' HD3' HD13 ' A' ' 348' ' ' LEU . 8.3 ttm-85 -61.49 -54.15 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.2 t80 -60.3 -30.82 69.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.88 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.15 -56.15 12.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.351 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 2.8 m-85 -62.61 -28.0 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.492 ' HA ' HD11 ' A' ' 330' ' ' LEU . 32.2 ttt-85 -74.48 -42.04 59.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.33 -32.18 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.757 HD11 HD21 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -71.05 -32.79 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.674 ' OD1' HG23 ' A' ' 332' ' ' ILE . 7.2 t30 -69.63 -46.0 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.552 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -76.52 -30.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.711 HD23 ' HD3' ' B' ' 351' ' ' LYS . 14.1 mt -74.53 -31.1 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.99 -30.07 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.27 -40.58 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.711 ' HD3' HD23 ' B' ' 348' ' ' LEU . 12.7 ptmm? -68.54 -30.08 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.817 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.86 -31.26 70.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.01 -31.19 56.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.09 151.14 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.45 118.48 4.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.8 OUTLIER -103.16 125.08 49.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.86 91.63 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.795 ' CD1' HD22 ' C' ' 330' ' ' LEU . 26.7 mm -91.9 149.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -142.86 34.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.514 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -153.89 141.95 8.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -71.9 -55.89 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.21 -44.23 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -59.88 -51.85 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.781 ' HB2' HG21 ' C' ' 332' ' ' ILE . 19.5 t80 -59.34 -33.4 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.81 -39.96 93.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.71 -55.48 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.418 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.5 -27.13 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -72.25 -44.7 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -31.39 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.437 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.757 HD21 HD11 ' B' ' 344' ' ' LEU . 1.4 mp -72.39 -35.46 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.626 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -41.5 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -73.9 -34.43 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -79.98 -28.51 39.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' D' ' 337' ' ' ARG . 13.5 mt -84.34 -19.29 33.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -85.25 -30.22 23.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.724 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.2 pp -76.87 -26.82 54.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.937 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.724 ' N ' HD12 ' C' ' 350' ' ' LEU . 16.5 ptpt -74.13 -31.02 62.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.374 . . . . 0.0 110.797 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -66.76 -36.02 81.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.38 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -112.48 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.29 136.76 14.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.471 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 15.3 tp -139.27 110.95 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.27 92.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.1 mm -75.8 126.71 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -100.48 36.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.59 136.33 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.36 -37.3 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.758 ' HG2' HD13 ' C' ' 348' ' ' LEU . 3.3 mtm180 -63.48 -56.46 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' D' ' 338' ' ' PHE . 27.6 t80 -60.27 -20.14 57.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.99 -41.17 62.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.278 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' D' ' 341' ' ' PHE . 2.1 ptm -69.98 -39.84 75.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 111.007 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.57 ' HB2' HD11 ' C' ' 330' ' ' LEU . 2.7 m-85 -72.31 -28.93 63.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -74.51 -40.34 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.439 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.796 HD21 ' CG ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.28 -32.04 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -42.96 62.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.738 ' O ' HD23 ' D' ' 350' ' ' LEU . 25.2 tt0 -73.04 -31.53 64.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.7 -30.83 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.989 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -74.81 -33.68 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.708 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.47 -29.21 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.738 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.3 mm? -69.99 -44.4 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.54 ' HE3' HD13 ' D' ' 348' ' ' LEU . 14.7 ptpt -65.67 -29.18 69.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -36.59 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.09 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.597 ' OE1' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.4 m-85 -113.43 125.99 54.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.7 116.9 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 1.011 HD23 HD11 ' A' ' 332' ' ' ILE . 18.8 tp -98.35 128.15 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.59 82.57 0.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 1.011 HD11 HD23 ' A' ' 330' ' ' LEU . 3.7 mp -85.83 133.03 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -102.21 76.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.18 142.5 3.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -77.68 -33.29 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.24 -52.94 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.648 ' CG ' HD13 ' B' ' 348' ' ' LEU . 2.8 ttm180 -58.55 -49.7 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.589 ' CD2' HD12 ' B' ' 330' ' ' LEU . 22.0 t80 -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.78 -38.5 90.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -65.6 -56.27 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' ' ND2' ' B' ' 345' ' ' ASN . 3.9 m-85 -61.34 -28.02 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -72.31 -42.28 65.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.567 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.0 -30.23 62.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.664 HD21 HD21 ' D' ' 344' ' ' LEU . 1.1 mp -74.81 -33.15 62.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -41.78 63.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.759 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.1 -31.61 69.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.37 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.695 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.7 OUTLIER -69.59 -30.14 67.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.735 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.3 -27.67 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -39.26 41.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -28.55 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.51 -30.95 63.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.55 75.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -136.17 138.74 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.84 128.55 9.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.589 HD12 ' CD2' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -109.31 141.29 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.66 103.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.591 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.8 mp -114.51 138.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.146 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -126.82 31.28 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.591 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -140.17 134.18 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.71 -51.84 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.76 -37.56 84.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.695 ' HG3' HD13 ' A' ' 348' ' ' LEU . 10.0 ttm180 -63.06 -55.63 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 33.8 t80 -60.19 -31.97 70.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.89 -36.09 82.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.6 ttm -66.5 -57.09 8.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.325 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.2 m-85 -59.69 -25.78 65.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.89 -44.34 63.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.597 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -71.79 -31.95 67.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.569 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.62 ' O ' HD12 ' B' ' 348' ' ' LEU . 65.6 mt -73.03 -31.89 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.642 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.554 ' ND2' ' CE1' ' A' ' 341' ' ' PHE . 1.7 m-80 -70.44 -41.97 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.78 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -32.73 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.438 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -78.29 -31.72 49.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.648 HD13 ' CG ' ' A' ' 337' ' ' ARG . 3.0 mt -77.77 -28.92 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -76.2 -30.54 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.93 -37.04 64.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -70.49 -31.54 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -31.57 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.55 -35.14 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 25.2 m-85 -111.5 135.99 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.03 83.21 1.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.509 HD22 HD11 ' C' ' 332' ' ' ILE . 0.5 OUTLIER -74.44 118.01 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 115.65 5.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.509 HD11 HD22 ' C' ' 330' ' ' LEU . 24.9 mm -106.65 136.9 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -106.21 36.13 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.43 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -157.48 135.21 4.27 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.39 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.46 -53.72 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.712 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 38.5 t80 -62.54 -31.26 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.596 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -38.28 90.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.14 -56.66 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.4 m-85 -60.9 -25.7 66.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.813 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.673 ' HA ' HD11 ' D' ' 330' ' ' LEU . 9.9 tpt180 -71.5 -42.7 67.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.87 -31.61 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.801 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.9 OUTLIER -75.17 -31.58 61.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.706 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.82 -39.21 69.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.95 -36.23 69.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.453 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -73.48 -32.12 64.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.801 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -73.27 -32.39 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -30.74 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.58 84.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.0 OUTLIER -60.0 -38.8 83.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -35.19 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.15 83.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 24.6 m-85 -146.09 144.12 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.43 141.8 15.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' C' ' 342' ' ' ARG . 0.5 OUTLIER -134.36 116.52 15.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.07 100.68 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.545 ' CD1' HD22 ' D' ' 330' ' ' LEU . 30.4 mm -91.31 104.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 74.81 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.64 141.23 3.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -75.24 -36.99 61.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -48.81 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.436 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 8.9 ttm180 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.493 ' CA ' HG21 ' D' ' 332' ' ' ILE . 24.4 t80 -61.0 -34.49 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.42 -37.06 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.458 ' CE ' HD23 ' C' ' 344' ' ' LEU . 14.5 ttp -65.27 -57.91 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.368 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.4 m-85 -59.36 -27.34 65.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -70.71 -42.27 70.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -74.9 -30.67 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.718 ' O ' HD12 ' D' ' 348' ' ' LEU . 21.1 mt -75.68 -30.57 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.693 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.88 -40.5 63.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.704 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -34.65 65.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.737 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.84 -30.47 58.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.987 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.718 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -75.78 -30.98 59.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.06 -29.18 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.49 -44.07 65.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -64.21 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.36 -31.47 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.25 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.7 m-85 -105.9 144.92 31.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.41 122.77 5.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.564 HD22 HG13 ' A' ' 332' ' ' ILE . 0.9 OUTLIER -131.45 110.97 11.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.14 100.12 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.564 HG13 HD22 ' A' ' 330' ' ' LEU . 3.8 mp -98.55 112.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -85.82 77.05 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.34 126.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.41 -46.68 75.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.56 -45.7 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -51.88 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.627 ' CE2' HD12 ' B' ' 330' ' ' LEU . 17.4 t80 -59.98 -32.88 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.0 -38.83 90.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.416 ' HE3' ' HE1' ' A' ' 341' ' ' PHE . 50.7 ttp -65.56 -56.96 9.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.383 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -62.25 -26.75 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -77.08 -42.24 38.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.583 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -72.67 -31.63 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.919 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.21 -35.16 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.517 179.72 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.84 -43.24 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.71 -29.74 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -78.29 -29.31 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.655 HD13 ' CG ' ' B' ' 337' ' ' ARG . 7.4 mt -76.52 -34.63 58.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.4 -29.46 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -70.72 -36.16 73.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -66.97 -31.16 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.44 -31.57 72.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.37 93.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.4 ' OE1' HD21 ' D' ' 350' ' ' LEU . 4.1 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 41.8 m-85 -108.44 137.86 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.96 127.66 8.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.771 HD22 HD11 ' B' ' 332' ' ' ILE . 1.0 OUTLIER -127.55 105.71 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.66 106.04 3.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.771 HD11 HD22 ' B' ' 330' ' ' LEU . 3.8 mp -102.12 132.8 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.68 31.06 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.546 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -135.3 135.36 7.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -70.28 -49.92 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.95 -47.5 77.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.655 ' CG ' HD13 ' A' ' 348' ' ' LEU . 12.1 mtm180 -59.65 -51.89 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.769 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 20.3 t80 -60.32 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.45 -39.5 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.34 -56.51 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.323 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -62.18 -27.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -76.31 -43.07 42.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.587 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.852 HD21 HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -73.45 -31.44 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.6 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.47 -43.39 66.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.71 -31.96 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.561 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -73.05 -31.59 64.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.991 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.835 HD13 ' HD3' ' B' ' 351' ' ' LYS . 3.4 mm? -71.86 -40.09 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.49 -43.09 57.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.835 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.9 OUTLIER -72.04 -30.12 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.99 -31.08 56.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.36 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -117.35 141.06 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.65 114.4 4.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.732 HD23 HD11 ' C' ' 332' ' ' ILE . 14.0 tp -106.78 124.76 50.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.93 91.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.732 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -95.0 129.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 34.31 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.501 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -135.33 140.53 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -77.8 -49.36 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.26 -47.21 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -59.44 -50.29 74.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CE2' HD12 ' D' ' 330' ' ' LEU . 17.1 t80 -60.41 -33.07 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.625 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -55.0 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.88 -27.91 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.71 -44.69 66.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.598 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.34 -30.51 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.852 HD21 HD21 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.689 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -71.67 -39.47 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.11 -38.72 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.23 -33.32 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.776 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.4 OUTLIER -73.66 -29.5 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -70.15 -30.84 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.34 -38.56 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.561 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.9 OUTLIER -60.76 -33.2 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -34.48 75.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.29 -31.71 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 24.9 m-85 -138.63 150.74 46.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -102.41 137.07 13.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.563 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.608 HD22 HD11 ' D' ' 332' ' ' ILE . 0.8 OUTLIER -132.64 131.8 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.5 100.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.608 HD11 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -105.98 117.58 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -93.11 74.93 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 142.53 5.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -77.38 -46.77 21.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.86 -40.48 72.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.628 ' CG ' HD13 ' C' ' 348' ' ' LEU . 7.2 ttm180 -61.3 -53.89 51.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.72 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.636 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 27.8 t80 -60.13 -36.54 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.33 -36.44 77.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttm -65.58 -56.76 10.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.61 -26.06 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -45.13 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.601 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.63 -30.7 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.919 HD21 HD11 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -72.62 -35.47 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' C' ' 332' ' ' ILE . 18.1 t-20 -68.6 -42.97 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.738 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.429 ' O ' HD12 ' D' ' 350' ' ' LEU . 10.5 mt-10 -69.22 -33.76 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.29 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.788 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.8 mm? -68.53 -37.41 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.736 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.7 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.429 HD12 ' O ' ' D' ' 346' ' ' GLU . 1.8 mp -63.1 -42.98 99.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.5 OUTLIER -58.97 -30.61 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -32.16 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.28 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.444 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 29.9 m-85 -151.47 127.37 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.07 121.7 6.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.1 129.04 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.59 99.78 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.572 HG22 ' H ' ' A' ' 334' ' ' GLY . 3.9 mp -101.29 137.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -109.81 32.94 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.572 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.13 146.41 17.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -78.1 -38.4 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.12 -48.11 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.653 ' HG3' HD13 ' B' ' 348' ' ' LEU . 7.3 ttm180 -59.66 -51.83 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.725 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 46.1 t80 -60.89 -32.34 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.27 -38.09 87.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.451 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 ttp -65.64 -57.67 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -61.12 -27.06 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -73.8 -43.17 59.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.487 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.08 -29.87 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.921 HD21 HD11 ' D' ' 344' ' ' LEU . 2.3 mt -75.15 -30.92 60.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.636 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.02 -43.22 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.01 -30.53 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -76.81 -31.42 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 344' ' ' LEU . 1.8 mm? -74.61 -34.05 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.731 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.92 -29.18 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -47.15 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -27.44 63.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -78.78 -30.22 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.68 -31.06 61.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 8.2 m-85 -127.06 130.75 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -109.91 138.17 14.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 332' ' ' ILE . 14.1 tp -128.7 140.61 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.18 91.06 0.65 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 332' ' ' ILE . 3.9 mp -97.16 122.11 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -94.84 48.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.93 136.13 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -75.35 -51.55 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.91 -45.05 79.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -61.48 -55.51 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 32.2 t80 -60.96 -26.72 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.469 ' HA ' ' HG2' ' B' ' 342' ' ' ARG . 22.2 mt-10 -67.8 -35.32 78.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -70.95 -44.75 65.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' B' ' 338' ' ' PHE . 2.5 m-85 -64.13 -34.92 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.469 ' HG2' ' HA ' ' B' ' 339' ' ' GLU . 2.8 ptp180 -73.26 -34.41 65.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.781 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.58 -33.75 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.115 HD11 HD22 ' C' ' 344' ' ' LEU . 5.3 tp -75.15 -30.95 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.695 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -74.63 -38.31 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.696 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.426 ' O ' HD12 ' B' ' 350' ' ' LEU . 26.7 tt0 -71.66 -36.1 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.23 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.661 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.6 OUTLIER -70.93 -31.24 67.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.53 -30.38 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.542 HD23 HE22 ' C' ' 354' ' ' GLN . 1.5 mp -62.9 -38.14 89.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.666 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 26.3 mttt -59.33 -32.23 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.12 -46.19 74.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.39 72.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.32 146.78 48.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.33 112.58 3.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.722 HD22 HG13 ' C' ' 332' ' ' ILE . 0.9 OUTLIER -99.52 129.64 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 331' ' ' GLY . . . . . 0.467 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -97.76 82.54 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.722 HG13 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -91.23 124.02 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -103.18 30.9 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.585 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -127.73 139.69 11.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -77.07 -44.4 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.38 -46.63 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -58.47 -50.22 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.539 ' CE1' HD12 ' D' ' 330' ' ' LEU . 20.4 t80 -59.99 -39.86 87.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.536 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.67 -36.36 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.62 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -56.65 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.53 ' CE1' ' ND2' ' D' ' 345' ' ' ASN . 3.7 m-85 -60.09 -25.96 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -45.56 47.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.584 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -71.13 -32.64 69.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 1.115 HD22 HD11 ' B' ' 344' ' ' LEU . 49.1 mt -72.82 -30.08 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -71.27 -43.15 67.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.719 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.78 -32.53 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -75.96 -32.41 59.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.786 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -73.35 -31.8 64.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.717 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.1 -34.33 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -66.72 -32.23 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.3 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.99 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.542 HE22 HD23 ' B' ' 350' ' ' LEU . 21.3 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -142.34 118.61 10.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.35 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.853 HD22 HD11 ' D' ' 332' ' ' ILE . 0.4 OUTLIER -109.13 138.45 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.39 108.92 3.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.853 HD11 HD22 ' D' ' 330' ' ' LEU . 25.9 mm -106.69 125.18 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 34.07 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.485 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -145.93 140.89 9.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -77.96 -37.27 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -47.29 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 ttm105 -60.39 -50.83 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.771 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -61.31 -32.54 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.33 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -55.5 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.394 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.2 -28.13 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -70.94 -44.13 66.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -29.85 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.498 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.921 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -74.54 -31.32 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.698 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.53 ' ND2' ' CE1' ' C' ' 341' ' ' PHE . 12.9 m-80 -72.7 -41.88 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -35.1 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.96 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.843 HD13 ' HD3' ' D' ' 351' ' ' LYS . 3.2 mm? -72.4 -37.26 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.15 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.97 -48.21 54.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.843 ' HD3' HD13 ' D' ' 348' ' ' LEU . 8.6 ptmm? -67.83 -30.07 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.59 -31.06 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.76 70.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.1 m-85 -135.97 146.82 47.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.65 135.02 13.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.737 HD23 HD11 ' A' ' 332' ' ' ILE . 19.6 tp -129.49 142.47 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -122.08 83.54 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.737 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -88.2 132.08 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -94.68 93.8 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.17 139.45 2.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -77.55 -38.34 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.89 -48.7 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttm180 -59.83 -52.03 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 16.4 t80 -62.7 -31.62 72.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.27 -35.67 81.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -66.87 -54.95 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.48 ' HE1' HG21 ' A' ' 332' ' ' ILE . 4.0 m-85 -60.35 -28.51 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.04 -45.6 56.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.668 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.57 -31.2 69.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.549 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.783 HD22 HD11 ' D' ' 344' ' ' LEU . 27.4 mt -70.56 -33.82 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -68.79 -45.61 70.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 350' ' ' LEU . 6.0 mt-10 -69.07 -37.46 78.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.491 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -73.04 -31.28 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -72.3 -30.95 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -67.57 -30.73 70.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 346' ' ' GLU . 2.8 mp -67.79 -49.02 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.631 ' HE2' ' HB2' ' D' ' 347' ' ' ALA . 17.5 ptpt -60.88 -31.99 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.89 -42.98 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.04 67.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -135.02 141.61 46.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.63 141.42 17.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.656 HD23 HD11 ' B' ' 332' ' ' ILE . 33.9 tp -142.67 142.47 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.14 93.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.656 HD11 HD23 ' B' ' 330' ' ' LEU . 25.3 mm -89.15 112.58 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -82.63 77.08 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.07 135.84 1.89 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -73.64 -37.2 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.37 -48.97 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.637 ' CD ' HD13 ' A' ' 348' ' ' LEU . 9.3 mtm180 -58.97 -50.71 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.437 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 17.1 t80 -60.52 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.69 -38.11 86.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.38 -57.8 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.404 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.4 m-85 -60.63 -28.04 68.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -76.14 -45.66 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.9 -31.12 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.663 HD21 ' CG ' ' C' ' 344' ' ' LEU . 4.3 mt -70.96 -36.09 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.629 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.434 ' OD1' HG23 ' A' ' 332' ' ' ILE . 52.2 t30 -66.75 -43.41 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.16 -31.6 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.89 -31.46 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.89 -31.54 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -71.22 -30.53 66.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -38.25 83.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -62.93 -39.88 95.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.69 -31.55 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.58 -31.95 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 69.2 m-85 -128.28 152.63 47.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.92 140.49 11.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.552 HD22 ' CE2' ' D' ' 338' ' ' PHE . 1.3 pt? -135.49 152.79 51.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.4 90.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.497 HG23 ' HD2' ' C' ' 337' ' ' ARG . 2.7 mp -81.29 128.98 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -98.38 35.15 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.491 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.86 126.74 3.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -64.05 -47.42 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.55 -39.66 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.642 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -61.85 -54.17 45.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.767 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' C' ' 332' ' ' ILE . 14.1 t80 -59.55 -32.78 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.676 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.16 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -66.81 -55.4 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.425 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.468 ' HE1' HD23 ' D' ' 344' ' ' LEU . 2.7 m-85 -62.72 -27.33 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -76.63 -44.13 35.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.45 -31.86 70.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.438 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.663 ' CG ' HD21 ' B' ' 344' ' ' LEU . 4.6 mp -71.93 -43.02 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.392 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.13 -35.54 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -66.86 -51.63 53.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.626 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.712 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.85 HD22 ' HG2' ' D' ' 337' ' ' ARG . 6.4 tp -66.33 -41.73 89.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.768 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.0 -31.42 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.59 -41.69 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -67.45 -30.69 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.99 -31.64 70.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -31.39 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 19.3 m-85 -108.56 150.9 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.92 116.65 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' D' ' 332' ' ' ILE . 0.8 OUTLIER -100.28 134.5 43.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 331' ' ' GLY . . . . . 0.526 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -109.82 85.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.693 ' CD1' HD22 ' D' ' 330' ' ' LEU . 22.0 mm -82.85 151.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 42.31 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -161.58 149.32 17.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -78.55 -56.14 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -46.04 90.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.85 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.9 tpt180 -60.36 -53.25 59.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' C' ' 330' ' ' LEU . 32.9 t80 -62.71 -32.66 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.402 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.94 -36.14 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtm -65.6 -56.34 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.367 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.469 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 6.0 m-85 -58.55 -26.36 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -46.16 54.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.643 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.67 -30.26 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.783 HD11 HD22 ' A' ' 344' ' ' LEU . 1.1 tp -71.76 -32.79 68.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.746 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.49 -44.39 67.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.13 -34.96 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . . . -75.74 -30.96 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' C' ' 337' ' ' ARG . 2.9 mt -74.87 -29.93 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.15 -29.61 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 350' ' ' LEU . 12.0 mt -67.47 -39.23 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.563 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 2.7 mtmp? -60.67 -41.35 94.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.5 -31.5 69.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.51 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.9 m-85 -126.66 120.97 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -76.51 132.84 12.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.432 HD22 HG13 ' A' ' 332' ' ' ILE . 1.1 tt -128.14 124.31 36.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.63 83.01 1.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.7 mp -76.92 150.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -129.8 77.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.89 135.14 1.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -69.84 -42.39 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -72.11 -43.95 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -61.0 -53.41 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 18.7 t80 -60.77 -31.39 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.2 -37.16 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.401 ' HE3' ' CE1' ' A' ' 341' ' ' PHE . 17.6 ttp -66.64 -55.46 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.15 -26.94 68.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -72.94 -41.26 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.595 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.7 -31.28 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.791 ' O ' HD23 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.702 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -73.27 -37.89 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.12 -31.7 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.449 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -75.47 -31.54 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -74.79 -36.04 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -71.73 -29.94 65.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -33.7 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -65.56 -38.78 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.18 -33.32 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.15 63.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -139.29 131.26 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -78.07 142.36 26.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 338' ' ' PHE . 13.8 tp -138.92 111.7 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.94 85.03 0.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.536 HD11 ' CD2' ' B' ' 330' ' ' LEU . 29.2 mm -86.89 127.19 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.6 71.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.73 129.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.4 -42.68 78.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -74.33 -51.09 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -58.32 -49.47 77.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.759 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 35.1 t80 -61.56 -35.12 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttm -64.55 -54.62 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.467 ' HE2' HG21 ' B' ' 332' ' ' ILE . 3.7 m-85 -59.43 -28.18 66.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -46.44 51.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.0 -31.4 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.032 HD22 HD11 ' C' ' 344' ' ' LEU . 12.1 mt -73.39 -31.3 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -71.03 -41.92 70.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.77 -31.62 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.735 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' B' ' 350' ' ' LEU . . . -72.27 -37.32 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.789 HD13 ' NZ ' ' B' ' 351' ' ' LYS . 3.7 mm? -68.26 -36.35 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.11 -28.72 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' B' ' 347' ' ' ALA . 3.9 mt -65.15 -42.58 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.789 ' NZ ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -61.33 -30.98 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.11 69.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -134.52 152.78 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.11 124.01 7.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.737 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.9 OUTLIER -118.06 134.53 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 331' ' ' GLY . . . . . 0.555 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -106.48 99.51 1.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.551 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.737 ' CD1' HD22 ' C' ' 330' ' ' LEU . 28.4 mm -102.69 131.86 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -101.59 86.97 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.1 134.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -72.22 -47.37 51.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -70.95 -42.0 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.566 ' HE ' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -62.04 -54.81 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.74 -32.51 72.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.342 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.02 -35.73 81.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.198 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.86 -60.04 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.499 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.9 m-85 -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -73.39 -44.47 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.75 -32.65 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 1.032 HD11 HD22 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -68.8 -36.1 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.62 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.626 ' ND2' HD21 ' D' ' 330' ' ' LEU . 19.7 m-20 -65.93 -45.83 80.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.97 -31.88 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.746 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -75.73 -31.4 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.762 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -73.76 -32.46 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -70.49 -30.77 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -66.64 -36.49 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -64.67 -34.38 78.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.67 -32.61 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.439 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 3.9 m-85 -130.26 152.33 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.15 145.84 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.626 HD21 ' ND2' ' C' ' 345' ' ' ASN . 21.3 tp -128.93 140.39 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.01 102.18 2.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.665 HD13 ' HD1' ' D' ' 338' ' ' PHE . 3.3 mp -107.64 131.64 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -111.41 36.87 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.497 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -155.02 128.15 2.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.38 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.25 -40.4 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.601 ' HG2' HG23 ' D' ' 332' ' ' ILE . 9.2 ttp180 -62.49 -55.66 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.665 ' HD1' HD13 ' D' ' 332' ' ' ILE . 16.2 t80 -62.24 -33.15 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -62.95 -34.06 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.169 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -67.03 -60.71 2.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.187 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.1 m-85 -62.47 -25.09 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -76.26 -39.03 55.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.517 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -74.87 -31.17 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.735 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -73.35 -33.87 65.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.61 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -70.79 -41.98 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.763 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.3 -36.7 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.28 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.566 HD22 ' HE ' ' C' ' 337' ' ' ARG . 14.7 mt -70.2 -37.98 75.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.82 -30.51 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -65.62 -41.32 92.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.449 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 18.5 mttt -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -34.89 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.446 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.5 m-85 -82.17 117.08 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.07 155.48 24.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' B' ' 338' ' ' PHE . 1.2 tt -148.02 136.74 21.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.431 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -93.72 94.9 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.586 HD13 HD22 ' A' ' 330' ' ' LEU . 30.5 mm -77.79 149.68 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -129.66 79.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.0 128.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -60.46 -37.82 82.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -73.21 -47.91 39.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.815 ' HG3' HD13 ' B' ' 348' ' ' LEU . 4.9 ttm180 -59.85 -52.09 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' B' ' 330' ' ' LEU . 68.0 t80 -61.12 -31.72 71.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.534 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.486 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.96 -56.55 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.307 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -60.99 -27.01 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -75.04 -44.76 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.81 -30.82 64.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.703 HD21 HD21 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -74.36 -31.62 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -71.65 -41.04 69.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.86 -26.45 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.5 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -80.97 -29.19 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.664 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.9 OUTLIER -79.26 -35.27 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.01 -24.61 55.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 350' ' ' LEU . 11.9 mt -78.01 -35.07 50.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -72.57 -31.16 65.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.89 -31.79 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 24.1 m-85 -146.05 134.86 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.73 143.79 17.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -133.32 134.29 43.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.34 101.5 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' B' ' 337' ' ' ARG . 3.8 mp -103.44 139.53 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -117.18 84.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.53 128.53 0.96 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -62.33 -35.7 79.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.25 -49.25 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.664 ' HG3' HD13 ' A' ' 348' ' ' LEU . 5.3 ttm180 -59.7 -51.94 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 32.1 t80 -61.73 -31.67 71.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.22 -37.61 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttm -66.45 -56.64 10.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.3 m-85 -62.39 -26.41 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.57 -42.26 59.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -31.38 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.668 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -74.12 -35.33 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.513 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.1 -41.87 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.671 ' O ' HD23 ' B' ' 350' ' ' LEU . 6.5 tt0 -72.34 -32.37 66.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.763 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.72 -33.16 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.815 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.7 OUTLIER -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -30.51 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.671 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -66.49 -44.25 83.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.422 ' HD2' HD23 ' B' ' 348' ' ' LEU . 15.4 ptpt -68.87 -31.41 70.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.94 -31.55 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.55 -31.34 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -107.55 123.34 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.57 148.73 21.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.462 HD22 HG13 ' C' ' 332' ' ' ILE . 0.6 OUTLIER -142.49 112.74 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -87.42 93.25 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.537 HD13 ' HD1' ' C' ' 341' ' ' PHE . 4.8 mt -95.29 137.37 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -105.85 75.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.26 120.42 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -62.34 -37.69 86.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.55 -49.15 34.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.407 ' HG2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.22 -51.42 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.409 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 17.0 t80 -60.62 -32.22 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -62.45 -38.33 89.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.517 ' O ' HD23 ' C' ' 344' ' ' LEU . 15.1 ttm -66.24 -57.55 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.265 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.537 ' HD1' HD13 ' C' ' 332' ' ' ILE . 3.3 m-85 -61.39 -25.95 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.07 -46.23 21.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.39 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -31.15 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.148 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.781 ' O ' HD12 ' C' ' 348' ' ' LEU . 3.2 mm? -69.5 -45.84 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -58.66 -39.18 79.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.683 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.634 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 tt0 -71.74 -37.61 70.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.43 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.781 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.3 OUTLIER -70.62 -38.93 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.62 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.634 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.8 mm? -64.47 -44.76 90.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.53 -31.54 57.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.28 -33.19 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 61.9 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -149.51 142.81 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.15 118.15 5.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' D' ' 332' ' ' ILE . 1.1 tt -101.16 131.19 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 331' ' ' GLY . . . . . 0.447 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -99.33 88.81 0.84 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.667 HD11 ' HB3' ' D' ' 330' ' ' LEU . 3.6 mp -96.99 114.01 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -96.56 40.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.08 140.37 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.79 -52.58 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.09 -47.65 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.606 ' HD3' HD13 ' C' ' 348' ' ' LEU . 1.7 ttm105 -59.64 -51.26 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.5 t80 -60.61 -32.22 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.15 -39.42 92.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.421 ' O ' HD23 ' D' ' 344' ' ' LEU . 7.6 mtm -64.89 -56.55 12.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.368 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.99 -26.46 64.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -75.87 -49.21 18.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.393 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -66.56 -30.72 71.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.175 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 344' ' ' LEU . 2.8 mm? -68.82 -45.9 70.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.406 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.445 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -59.77 -40.4 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.76 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.689 ' O ' HD23 ' D' ' 350' ' ' LEU . 7.4 tt0 -74.92 -32.95 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.87 -30.06 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.533 HD23 ' NZ ' ' D' ' 351' ' ' LYS . 12.4 mt -76.92 -30.77 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.57 -29.61 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.689 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -71.34 -43.48 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.533 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 14.2 ptpt -64.25 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.91 -31.41 72.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.42 72.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.438 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.7 m-85 -106.82 140.04 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.88 9.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.7 OUTLIER -109.49 133.3 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.471 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -103.02 83.9 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.78 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.4 mm -84.85 138.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -115.3 35.53 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.556 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -149.64 136.66 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -34.13 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.95 -49.37 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.846 ' HG2' HD22 ' B' ' 348' ' ' LEU . 4.5 tpt180 -59.39 -51.12 71.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' B' ' 330' ' ' LEU . 51.1 t80 -62.97 -33.13 74.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.89 -37.43 86.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.304 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mmm -64.11 -57.76 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.3 m-85 -57.38 -27.72 62.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -67.11 -40.42 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.539 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -31.71 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.522 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.773 HD21 HD11 ' D' ' 344' ' ' LEU . 1.3 mp -71.96 -34.94 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.587 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -44.38 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -30.99 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.19 60.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.402 HD13 ' HE ' ' B' ' 337' ' ' ARG . 12.5 mt -72.33 -31.89 66.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.82 -29.85 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.53 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -60.25 -31.36 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.38 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.66 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -108.21 150.16 27.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 126.17 8.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 1.057 HD23 HD11 ' B' ' 332' ' ' ILE . 4.7 tp -107.29 117.36 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.71 114.0 4.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 1.057 HD11 HD23 ' B' ' 330' ' ' LEU . 3.3 mp -125.38 134.52 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -98.45 34.43 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.422 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -138.98 137.24 8.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.0 -45.52 49.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.78 -49.73 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.8 ttm180 -58.9 -50.56 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.48 ' HD1' HD13 ' B' ' 332' ' ' ILE . 42.7 t80 -61.47 -34.26 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.71 -38.35 87.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.559 ' O ' HD12 ' B' ' 344' ' ' LEU . 27.5 ttm -64.92 -57.07 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.525 ' HE1' HD22 ' A' ' 344' ' ' LEU . 2.7 m-85 -62.73 -29.73 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.741 ' HA ' HD11 ' A' ' 330' ' ' LEU . 0.0 OUTLIER -76.23 -37.47 57.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.72 -36.43 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.734 ' CG ' HD21 ' C' ' 344' ' ' LEU . 0.8 OUTLIER -67.19 -40.85 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.475 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -61.44 -42.94 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -48.3 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.19 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.732 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.846 HD22 ' HG2' ' A' ' 337' ' ' ARG . 14.1 tp -66.85 -40.48 87.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -29.73 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.453 HD11 HE22 ' C' ' 354' ' ' GLN . 0.1 OUTLIER -71.84 -41.57 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -64.08 -30.31 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.35 -33.11 75.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -136.58 136.1 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.86 127.84 8.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.728 HD22 HG13 ' C' ' 332' ' ' ILE . 0.5 OUTLIER -100.03 132.06 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -113.07 89.0 0.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.728 HG13 HD22 ' C' ' 330' ' ' LEU . 4.6 mt -95.64 149.69 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -126.22 77.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.81 148.0 5.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -73.38 -47.03 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.72 -36.46 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.682 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -63.64 -56.07 18.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.735 ' CZ ' HD12 ' D' ' 330' ' ' LEU . 16.4 t80 -60.51 -32.12 71.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.88 -36.26 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -59.2 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.224 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -62.52 -24.92 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -77.01 -40.88 44.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.498 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.86 -30.64 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.734 HD21 ' CG ' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 179.657 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -72.2 -42.85 65.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.61 -31.83 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.99 56.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' D' ' 337' ' ' ARG . 2.4 mt -75.38 -31.53 60.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 -29.73 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -66.49 -37.1 84.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -64.09 -34.88 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -67.88 -32.12 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.93 -33.48 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.453 HE22 HD11 ' B' ' 350' ' ' LEU . 69.2 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 16.0 m-85 -143.84 139.08 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.88 157.55 25.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.844 HD22 HD11 ' D' ' 332' ' ' ILE . 0.9 OUTLIER -151.53 130.73 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.07 96.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.844 HD11 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -111.19 127.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -92.03 74.71 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.91 127.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -77.46 -33.93 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.55 -52.71 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.498 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.26 -49.86 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 16.6 t80 -61.82 -32.47 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.73 -37.49 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -56.85 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.367 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.5 m-85 -62.09 -25.65 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -75.73 -42.07 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.8 -30.95 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.773 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -73.69 -31.31 63.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.652 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.36 -42.87 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.523 ' O ' HD23 ' D' ' 350' ' ' LEU . 36.4 tt0 -70.93 -36.05 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.722 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.13 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 344' ' ' LEU . 2.4 mt -72.64 -31.29 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.54 -30.63 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -63.19 -41.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -66.17 -31.78 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -35.39 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.35 72.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -146.94 139.15 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.13 140.88 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' B' ' 338' ' ' PHE . 12.6 tp -135.3 124.28 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.83 82.36 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.76 143.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -117.24 73.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 142.36 4.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -76.01 -48.86 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.86 -43.31 72.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 1.3 ttp85 -61.91 -55.0 34.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 30.9 t80 -62.77 -31.18 72.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.89 -35.05 79.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.298 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttm -67.65 -58.23 5.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.245 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.06 -25.12 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -75.96 -41.87 50.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.51 -30.05 61.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.463 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.986 HD22 HD11 ' D' ' 344' ' ' LEU . 13.3 mt -74.29 -30.76 62.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -73.46 -43.25 60.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -72.39 -31.5 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.6 mm? -72.95 -30.55 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -68.58 -30.25 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.584 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 15.2 mttt -63.21 -33.79 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -59.89 -43.68 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.92 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 15.2 m-85 -103.23 145.98 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -92.25 122.12 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.553 HD23 HD11 ' B' ' 332' ' ' ILE . 16.8 tp -104.56 131.8 51.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.99 95.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.566 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.5 mp -96.08 124.69 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.08 30.87 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.566 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -150.2 144.9 12.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -73.43 -49.29 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.24 99.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.403 ' NE ' ' HB3' ' A' ' 348' ' ' LEU . 4.7 mtm180 -62.19 -55.36 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.685 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.634 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 26.1 t80 -60.27 -20.58 59.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.08 -40.58 62.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.207 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' B' ' 341' ' ' PHE . 1.8 ptm -69.79 -40.09 76.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.001 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' B' ' 340' ' ' MET . 3.0 m-85 -72.02 -28.97 63.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -75.48 -41.27 55.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' B' ' 348' ' ' LEU . 36.2 mt -73.8 -31.71 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.604 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.01 -31.93 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.85 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -71.74 -41.51 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.36 -31.58 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.99 -34.25 77.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -62.17 -31.46 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.06 -37.44 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.52 70.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -142.47 119.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.73 158.39 35.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.699 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.9 OUTLIER -147.43 133.98 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 331' ' ' GLY . . . . . 0.536 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -110.16 82.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.699 ' CD1' HD22 ' C' ' 330' ' ' LEU . 28.0 mm -76.32 132.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -98.81 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.562 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -139.96 141.27 11.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -78.03 -53.48 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.47 -43.91 92.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.736 ' CG ' HD13 ' D' ' 348' ' ' LEU . 3.2 ttm180 -60.7 -53.1 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.745 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' D' ' 330' ' ' LEU . 51.7 t80 -60.33 -32.57 71.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.2 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -55.24 19.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.375 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.403 ' HE2' HD22 ' D' ' 344' ' ' LEU . 5.0 m-85 -58.75 -25.96 63.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.992 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.33 32.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.85 -31.27 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.756 ' O ' HD12 ' C' ' 348' ' ' LEU . 2.1 mp -71.45 -39.32 71.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.584 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -64.24 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.15 -37.01 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.68 -31.35 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.756 HD12 ' O ' ' C' ' 344' ' ' LEU . 1.2 mt -79.84 -27.19 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.12 -30.83 43.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.27 -32.87 59.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.53 -30.69 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -31.43 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.81 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -142.51 129.1 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -81.14 146.23 26.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.583 HD22 ' CG1' ' D' ' 332' ' ' ILE . 0.4 OUTLIER -134.34 132.49 39.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.73 91.16 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.583 ' CG1' HD22 ' D' ' 330' ' ' LEU . 4.7 mt -103.37 118.57 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -98.14 36.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.459 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -143.3 132.35 4.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -67.76 -51.36 50.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.74 ' HD2' HD13 ' C' ' 348' ' ' LEU . 1.1 tpp180 -63.67 -56.31 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.0 t80 -59.8 -31.42 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.66 -36.98 85.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.408 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.62 -57.46 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.8 m-85 -62.01 -25.87 67.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -73.91 -41.03 62.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -30.28 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.986 HD11 HD22 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -74.97 -31.58 61.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.712 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -73.07 -40.71 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.4 -32.28 62.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.584 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -78.12 -30.92 49.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.736 HD13 ' CG ' ' C' ' 337' ' ' ARG . 3.1 mt -76.85 -29.62 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.73 -30.17 62.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.22 -36.66 77.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.68 -40.91 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.84 74.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.92 123.56 41.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.39 26.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 338' ' ' PHE . 1.1 tt -130.96 132.27 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.63 87.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.619 HG13 HD22 ' A' ' 330' ' ' LEU . 3.7 mp -83.23 131.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 75.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.96 127.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -38.54 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -72.3 -44.49 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.69 ' CG ' HD13 ' B' ' 348' ' ' LEU . 7.5 ttm180 -60.67 -52.99 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CD1' HD13 ' A' ' 332' ' ' ILE . 17.1 t80 -60.62 -31.94 71.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.16 -37.55 87.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.439 ' O ' HD12 ' A' ' 344' ' ' LEU . 6.7 ttm -65.98 -56.77 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.298 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -60.57 -26.88 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -72.3 -43.0 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.48 -31.19 63.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.453 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.758 ' HG ' HD11 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 179.682 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.627 HD22 HD21 ' B' ' 330' ' ' LEU . 41.5 t30 -70.92 -43.81 67.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.21 -31.48 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.72 -30.63 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 344' ' ' LEU . 1.2 mt -76.07 -30.94 58.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -72.36 -31.42 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.411 HD21 HE22 ' D' ' 354' ' ' GLN . 2.3 mt -69.06 -40.14 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.704 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 15.3 mtpt -62.03 -31.21 71.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.36 -36.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.62 84.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 19.2 m-85 -107.75 144.79 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.25 146.26 16.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.645 HD22 HG13 ' B' ' 332' ' ' ILE . 4.9 tt -138.16 145.26 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 331' ' ' GLY . . . . . 0.533 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -97.49 82.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.645 HG13 HD22 ' B' ' 330' ' ' LEU . 3.7 mp -75.77 119.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -97.11 77.21 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.5 141.72 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -77.53 -38.05 49.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -45.32 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.576 ' CG ' HD13 ' A' ' 348' ' ' LEU . 6.7 ttm180 -60.62 -53.1 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.776 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE2' HD12 ' A' ' 330' ' ' LEU . 15.9 t80 -61.14 -31.96 71.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.62 -37.03 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.533 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -56.35 10.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.364 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.2 m-85 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -74.77 -44.65 48.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.04 -33.85 70.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.066 HD22 HD11 ' C' ' 344' ' ' LEU . 54.7 mt -72.33 -29.37 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.729 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -71.91 -42.58 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.17 -36.0 71.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.64 -31.37 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.736 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.83 -30.45 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.49 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -61.45 -33.76 74.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.2 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.52 123.56 50.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.16 122.78 7.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.753 HD22 HD11 ' C' ' 332' ' ' ILE . 0.9 OUTLIER -106.26 126.8 52.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.78 95.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.753 HD11 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -111.06 133.88 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -100.37 71.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.19 134.25 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.27 -44.52 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.0 -47.05 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.414 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 11.2 ttm180 -60.12 -52.64 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.54 -31.9 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.73 -38.97 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.441 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -65.62 -58.19 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.189 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.414 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -62.38 -27.16 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.41 -41.65 46.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.5 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.47 -31.32 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.493 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 1.066 HD11 HD22 ' B' ' 344' ' ' LEU . 5.0 tp -72.63 -32.91 66.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.566 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.26 -44.03 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.84 -33.51 76.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.517 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -68.32 -40.53 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.714 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.9 mm? -63.49 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.714 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -31.19 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.34 -38.74 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.2 -36.33 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -32.12 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.8 142.2 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.7 124.05 6.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' D' ' 332' ' ' ILE . 11.3 tp -90.79 89.76 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -73.48 82.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.576 HG22 ' H ' ' D' ' 334' ' ' GLY . 25.9 mm -104.67 126.58 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.91 32.07 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.576 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -144.05 130.41 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -36.79 83.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.37 -51.11 21.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -58.74 -48.7 80.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' C' ' 330' ' ' LEU . 16.3 t80 -61.19 -33.54 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -64.46 -55.54 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.486 ' HE2' HD23 ' C' ' 344' ' ' LEU . 4.6 m-85 -58.83 -28.0 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -73.95 -48.97 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.52 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.74 -31.67 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.251 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.784 ' O ' HD13 ' D' ' 348' ' ' LEU . 2.7 mm? -69.85 -46.85 64.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.406 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.61 -38.45 87.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.49 -46.5 66.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.704 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -66.67 -29.0 68.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.784 HD13 ' O ' ' D' ' 344' ' ' LEU . 6.3 mp -69.91 -37.24 75.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.46 -31.14 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.72 -39.65 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -59.81 -37.67 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.9 -40.85 96.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.13 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.411 HE22 HD21 ' A' ' 350' ' ' LEU . 73.4 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 56.7 m-85 -146.65 125.06 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.88 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' B' ' 338' ' ' PHE . 0.4 OUTLIER -108.22 142.46 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.07 115.22 4.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.443 HG23 ' HD2' ' A' ' 337' ' ' ARG . 3.9 mp -122.88 112.89 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.149 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.24 73.0 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.25 145.78 7.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttp-105 -78.23 -56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.39 -39.95 92.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.443 ' HD2' HG23 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -62.73 -55.8 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.668 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.58 ' CD1' HD12 ' B' ' 330' ' ' LEU . 58.9 t80 -60.99 -31.56 71.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.02 -37.17 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.589 ' O ' HD23 ' A' ' 344' ' ' LEU . 5.9 ttm -65.58 -56.31 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.316 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.6 -26.04 60.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -47.75 60.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.455 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.52 -30.3 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.23 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 340' ' ' MET . 4.0 mm? -70.41 -43.76 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -41.48 97.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.739 ' O ' HD23 ' A' ' 350' ' ' LEU . 11.9 pt-20 -75.51 -31.07 60.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.78 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.974 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.888 HD13 ' CG ' ' B' ' 337' ' ' ARG . 3.2 mt -78.97 -28.65 43.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.8 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.91 -27.34 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.5 mm? -73.15 -39.01 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -27.36 67.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.72 -31.59 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.11 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -133.08 106.31 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.07 135.26 25.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.58 HD12 ' CD1' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -123.67 128.55 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.32 112.38 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.602 HD12 ' N ' ' B' ' 332' ' ' ILE . 3.2 mp -110.15 138.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -106.48 31.04 5.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.589 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -147.18 144.54 12.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.92 -37.31 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -72.86 -46.19 54.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.888 ' CG ' HD13 ' A' ' 348' ' ' LEU . 5.9 ttm180 -59.57 -51.12 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.564 ' HD2' HD13 ' B' ' 332' ' ' ILE . 23.0 t80 -60.34 -35.09 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.618 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -61.24 -37.91 84.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.81 -56.2 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.508 ' HB2' HD13 ' A' ' 330' ' ' LEU . 5.7 m-85 -58.62 -26.4 63.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -44.09 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.81 -31.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -74.93 -33.9 62.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.628 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -71.87 -39.13 69.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -27.11 47.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.98 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.639 HD12 ' O ' ' B' ' 344' ' ' LEU . 11.9 mt -82.54 -25.47 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.17 -31.17 30.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.77 HD12 ' N ' ' B' ' 351' ' ' LYS . 4.1 pp -79.44 -27.71 41.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.796 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.77 ' N ' HD12 ' B' ' 350' ' ' LEU . 15.3 ttpp -78.83 -34.3 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.711 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.7 -30.82 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.35 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -126.15 123.82 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.86 135.73 14.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.519 HD22 HG13 ' C' ' 332' ' ' ILE . 0.8 OUTLIER -117.78 131.62 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 331' ' ' GLY . . . . . 0.486 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -103.83 100.94 1.94 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.694 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.8 mp -113.22 149.37 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -129.52 76.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.07 124.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -60.82 -37.66 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.41 -46.06 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.517 ' NE ' HD23 ' D' ' 348' ' ' LEU . 6.6 ttm105 -60.13 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.613 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.275 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -59.84 -36.57 77.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.421 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -59.5 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.144 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' C' ' 337' ' ' ARG . 8.7 m-85 -58.02 -22.24 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.211 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -44.46 50.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.463 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -30.63 67.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 344' ' ' LEU . 1.7 mt -72.31 -39.33 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.674 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.3 -39.47 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.473 ' O ' HD12 ' C' ' 350' ' ' LEU . 8.5 mt-10 -71.81 -42.36 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' HD3' ' B' ' 351' ' ' LYS . . . -71.63 -28.77 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.8 tp -74.34 -34.14 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.26 -29.91 67.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.473 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.2 mp -65.89 -38.87 89.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -58.6 -31.7 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.16 -30.8 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.52 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -123.88 152.42 42.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -132.27 139.39 10.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.524 HD23 ' N ' ' D' ' 331' ' ' GLY . 0.7 OUTLIER -131.15 146.25 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 331' ' ' GLY . . . . . 0.524 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -106.37 82.49 0.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.498 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -84.46 119.74 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -100.94 72.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.7 123.41 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.86 91.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.161 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.56 -52.22 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.208 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.403 ' HD2' HG22 ' D' ' 332' ' ' ILE . 3.7 ptp180 -65.35 -39.82 92.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.719 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -69.84 -32.41 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.258 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -65.72 -56.85 9.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.78 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -77.37 -43.26 33.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.488 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.36 -30.51 66.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.77 ' O ' HD13 ' D' ' 348' ' ' LEU . 5.1 mp -75.35 -43.6 49.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.488 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.694 ' OD1' HG23 ' C' ' 332' ' ' ILE . 3.1 t30 -68.6 -32.95 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -74.01 -44.92 52.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.519 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.6 -27.5 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.77 HD13 ' O ' ' D' ' 344' ' ' LEU . 5.6 mp -72.21 -38.16 69.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.691 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.28 -46.47 80.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -60.24 -33.2 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -35.94 78.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.08 126.8 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.85 144.58 36.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.662 HD13 ' CE1' ' B' ' 338' ' ' PHE . 11.0 tp -146.51 137.79 24.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.23 82.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.579 HD13 ' HD2' ' A' ' 341' ' ' PHE . 3.9 mt -86.57 130.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -103.68 83.25 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.07 125.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -60.54 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.91 -38.2 81.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.541 ' HE ' HD12 ' B' ' 348' ' ' LEU . 2.7 tpt180 -63.2 -56.24 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 15.5 t80 -62.13 -32.44 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.414 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.33 -33.9 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.327 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.4 mtp -67.99 -57.46 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.272 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.579 ' HD2' HD13 ' A' ' 332' ' ' ILE . 2.8 m-85 -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.692 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -76.59 -45.53 29.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.353 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -69.12 -31.79 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.648 HD11 HD21 ' D' ' 344' ' ' LEU . 3.1 mt -68.6 -39.34 80.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.61 -46.09 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.84 -32.76 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -75.17 -31.97 61.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.854 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.27 -34.77 70.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.64 -29.55 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.87 -35.11 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -68.21 -37.08 80.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -64.22 -32.53 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.05 -31.5 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.4 m-85 -125.13 151.06 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.77 154.81 16.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.881 HD23 HD11 ' B' ' 332' ' ' ILE . 38.9 tp -152.89 149.63 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.98 82.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.881 HD11 HD23 ' B' ' 330' ' ' LEU . 31.0 mm -71.4 115.82 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -96.1 77.4 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.54 140.53 2.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.64 -35.84 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -53.08 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -57.66 -49.06 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.662 ' CE1' HD13 ' A' ' 330' ' ' LEU . 74.9 t80 -61.44 -34.67 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.11 -37.26 84.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.415 ' O ' HD12 ' B' ' 344' ' ' LEU . 3.1 ttp -66.33 -55.97 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 5.3 m-85 -61.37 -26.97 68.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CD ' ' CE2' ' B' ' 338' ' ' PHE . 5.3 mtp180 -73.45 -42.28 62.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.51 -33.2 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.439 HD13 ' HE1' ' A' ' 341' ' ' PHE . 4.5 mt -71.53 -41.29 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -65.42 -39.07 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.97 80.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.722 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.26 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.541 HD12 ' HE ' ' A' ' 337' ' ' ARG . 0.8 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -57.74 -30.08 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.82 -36.49 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -66.95 -38.54 86.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -39.67 93.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.43 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 25.6 m-85 -142.65 147.19 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.95 134.28 11.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.587 HD23 HD11 ' C' ' 332' ' ' ILE . 22.8 tp -128.49 114.53 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.08 82.48 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.587 HD11 HD23 ' C' ' 330' ' ' LEU . 3.7 mp -86.19 131.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.67 70.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.25 140.96 4.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -78.35 -39.92 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -48.25 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.8 -52.06 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.736 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.9 t80 -62.03 -32.18 72.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.91 -36.96 85.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.612 ' O ' HD13 ' C' ' 344' ' ' LEU . 1.3 mtp -66.65 -55.62 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.357 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.8 m-85 -62.1 -28.24 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -44.9 26.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 110.441 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.5 -30.41 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.262 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.612 HD13 ' O ' ' C' ' 340' ' ' MET . 6.4 mp -72.38 -42.84 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.39 -36.28 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.11 -42.03 63.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.894 HD23 ' HG3' ' D' ' 337' ' ' ARG . 12.6 tp -78.9 -25.51 43.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.736 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.0 -29.17 58.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.84 -45.22 52.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -30.63 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.8 -30.39 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.48 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 29.5 m-85 -148.15 142.36 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.96 116.48 5.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 17.9 tp -109.04 130.09 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.75 82.43 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.566 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mp -83.49 123.36 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 31.19 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.566 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.13 128.93 5.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.26 -47.1 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.9 -40.7 72.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.894 ' HG3' HD23 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -61.96 -55.27 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.4 t80 -60.08 -33.69 72.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.85 -37.48 84.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.464 ' O ' HD23 ' D' ' 344' ' ' LEU . 6.3 ttm -64.87 -57.78 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 7.7 m-85 -58.07 -23.88 56.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -43.66 68.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.49 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -68.74 -31.59 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.738 ' O ' HD23 ' D' ' 348' ' ' LEU . 4.2 mm? -71.71 -44.46 64.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.574 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.02 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -75.15 -36.27 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -75.14 -30.18 60.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.738 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.9 mm? -76.77 -31.84 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -74.14 -31.45 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -31.41 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.76 -34.85 79.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.34 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 11.8 m-85 -108.36 151.43 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.52 157.81 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' B' ' 332' ' ' ILE . 5.2 mp -140.94 152.04 44.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.21 82.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.411 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 334' ' ' GLY . 20.2 mm -80.4 141.58 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.337 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 30.65 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -159.64 144.0 9.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -30.85 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -54.29 20.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -48.87 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.794 ' CE2' HD22 ' B' ' 330' ' ' LEU . 24.2 t80 -62.62 -31.95 72.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -37.46 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -57.01 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.77 -26.78 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -73.63 -44.96 55.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.525 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -72.13 -31.69 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.64 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.48 -33.79 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.21 -43.48 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.98 -30.61 58.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.657 HD13 ' HD2' ' B' ' 337' ' ' ARG . 2.4 mt -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.99 -33.81 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.76 -33.17 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -63.71 -34.62 78.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -41.88 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.23 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.766 0.317 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 61.7 m-85 -101.0 118.41 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.09 138.07 13.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.794 HD22 ' CE2' ' A' ' 338' ' ' PHE . 1.2 pt? -145.72 149.4 34.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -131.73 113.0 1.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.576 HD11 HD12 ' B' ' 330' ' ' LEU . 3.6 mp -102.24 152.32 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.27 38.1 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.33 143.18 14.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -55.27 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -59.65 -48.31 82.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.657 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.31 -53.06 62.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.651 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.51 ' CD2' HD11 ' A' ' 330' ' ' LEU . 16.3 t80 -63.79 -32.03 73.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.65 -35.86 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.0 ttp -67.46 -58.98 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -61.93 -23.68 66.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.9 32.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -32.44 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.866 HD11 HD11 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -73.83 -31.64 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -40.81 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.691 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.72 -41.52 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.29 -31.29 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.1 mm? -72.06 -31.16 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.64 -31.51 71.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -37.68 81.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.64 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -68.11 -31.26 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.19 -45.8 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.437 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 6.3 m-85 -107.62 142.2 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.64 119.39 6.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.821 HD23 HD11 ' C' ' 332' ' ' ILE . 14.1 tp -97.82 114.6 26.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.75 84.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.821 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -92.53 128.77 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -105.7 35.19 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.552 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -148.2 141.56 9.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -74.86 -39.57 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -72.22 -44.86 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.608 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -60.13 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.15 -33.99 72.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -37.36 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.669 ' O ' HD23 ' C' ' 344' ' ' LEU . 0.0 OUTLIER -65.72 -57.38 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.336 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 4.7 m-85 -60.4 -26.99 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -76.32 -46.49 27.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.485 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.79 -31.75 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.866 HD11 HD11 ' B' ' 344' ' ' LEU . 4.0 mm? -69.75 -45.56 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.365 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.451 ' HA ' HD12 ' C' ' 348' ' ' LEU . 52.6 t30 -61.84 -39.91 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.77 -38.73 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.81 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.69 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.778 HD22 ' CZ ' ' D' ' 337' ' ' ARG . 13.5 mt -68.89 -43.44 75.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.12 -25.56 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.79 -34.65 71.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.744 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -62.67 -33.13 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.68 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -141.27 136.67 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.79 134.55 11.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.09 121.11 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.67 119.73 6.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.429 HG22 ' H ' ' D' ' 334' ' ' GLY . 4.6 mt -127.33 133.25 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.65 37.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.429 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -134.28 134.81 7.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -42.15 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.45 -46.43 32.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.778 ' CZ ' HD22 ' C' ' 348' ' ' LEU . 1.5 tpp180 -60.62 -53.34 58.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 21.2 t80 -61.9 -32.52 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.28 -36.22 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.244 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.426 ' O ' HD12 ' D' ' 344' ' ' LEU . 8.9 ttm -66.22 -60.59 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.75 -25.46 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -74.67 -41.49 60.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 110.581 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.92 -32.62 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 344' ' ' LEU . 1.8 mp -70.62 -35.24 72.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.671 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -43.21 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.414 ' O ' HD12 ' D' ' 350' ' ' LEU . 41.3 mt-10 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.16 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.608 HD13 ' HG3' ' C' ' 337' ' ' ARG . 1.2 mt -79.03 -34.94 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.665 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -26.1 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.414 HD12 ' O ' ' D' ' 346' ' ' GLU . 10.0 mt -72.7 -32.97 66.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.54 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 2.1 ptpp? -76.86 -28.48 55.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -77.88 -31.75 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.58 -31.29 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -145.36 152.25 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.83 112.77 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.618 HD13 ' CE1' ' B' ' 338' ' ' PHE . 22.9 tp -95.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.11 86.88 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.461 HD13 ' ND2' ' B' ' 345' ' ' ASN . 23.9 mm -96.09 140.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.29 79.55 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.32 124.04 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.33 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.32 -42.81 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 3.0 tpp180 -60.93 -53.91 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' B' ' 330' ' ' LEU . 17.2 t80 -61.88 -35.7 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.386 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.47 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.366 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.591 ' O ' HD13 ' A' ' 344' ' ' LEU . 23.6 ttp -66.31 -57.76 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.28 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.4 m-85 -58.99 -29.28 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.73 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.197 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.76 -28.79 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.232 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.785 HD21 HD21 ' D' ' 344' ' ' LEU . 6.0 mp -70.32 -44.23 68.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.479 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -60.55 -39.97 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -67.39 -48.05 68.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.34 66.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.897 HD23 ' HD2' ' B' ' 337' ' ' ARG . 2.9 mp -74.24 -30.31 62.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.15 -30.4 67.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -66.67 -40.81 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.696 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 5.6 mtpm? -59.8 -34.06 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.07 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -139.02 147.4 42.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.16 130.49 10.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.613 HD22 ' CG1' ' B' ' 332' ' ' ILE . 0.4 OUTLIER -112.5 103.4 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.41 82.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.613 ' CG1' HD22 ' B' ' 330' ' ' LEU . 33.3 mt -95.94 140.09 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.085 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -115.96 66.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.63 135.71 3.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -75.62 -43.08 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.16 -41.5 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.897 ' HD2' HD23 ' A' ' 348' ' ' LEU . 1.7 tpp180 -61.95 -55.63 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.656 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 330' ' ' LEU . 16.1 t80 -60.1 -32.94 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.339 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -36.09 79.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.233 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttp -66.76 -61.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.953 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.403 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 7.6 m-85 -60.75 -24.19 65.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.24 -29.59 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' C' ' 344' ' ' LEU . 4.9 mp -74.8 -39.47 61.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.461 ' ND2' HD13 ' A' ' 332' ' ' ILE . 53.5 t30 -72.34 -36.34 68.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.51 -27.04 60.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.659 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.16 -40.9 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.622 HD12 ' N ' ' B' ' 349' ' ' GLU . 4.6 pp -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 349' ' ' GLU . . . . . 0.622 ' N ' HD12 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -73.58 -28.99 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.611 179.69 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -35.47 80.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -61.28 -33.71 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.32 -45.96 91.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 26.1 m-85 -139.1 140.43 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.28 118.26 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' C' ' 332' ' ' ILE . 1.2 tt -101.67 133.34 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 331' ' ' GLY . . . . . 0.52 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -98.86 91.18 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.813 ' CD1' HD22 ' C' ' 330' ' ' LEU . 25.2 mm -94.07 132.5 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -116.01 31.08 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.598 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -144.25 142.6 11.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -53.5 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.5 -49.44 77.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -59.79 -47.14 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.456 ' HB2' HG21 ' C' ' 332' ' ' ILE . 30.9 t80 -61.85 -33.17 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.629 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.28 -41.09 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.621 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.77 -53.31 52.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.44 ' HE1' HD22 ' D' ' 344' ' ' LEU . 2.6 m-85 -61.04 -29.0 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -69.13 -41.64 77.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.724 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -35.39 76.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 344' ' ' LEU . 1.2 mp -69.03 -39.37 79.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -63.6 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.17 -47.85 66.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.646 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.91 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.841 HD22 ' HG2' ' D' ' 337' ' ' ARG . 10.1 tp -71.31 -41.74 69.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 -28.76 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -31.37 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -66.6 -31.41 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.46 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -126.2 148.96 49.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -120.6 137.53 12.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.469 HD12 HD11 ' D' ' 332' ' ' ILE . 1.4 pt? -138.18 152.56 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -128.15 100.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.469 HD11 HD12 ' D' ' 330' ' ' LEU . 28.3 mm -91.67 138.81 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.11 31.61 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.462 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -132.6 122.4 3.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -52.59 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -46.07 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.841 ' HG2' HD22 ' C' ' 348' ' ' LEU . 0.1 OUTLIER -60.0 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 26.3 t80 -61.41 -34.28 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.48 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.24 -36.52 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.69 -57.27 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.341 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.619 ' HE1' HD22 ' C' ' 344' ' ' LEU . 8.3 m-85 -57.64 -26.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -47.62 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.63 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.83 -32.28 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.785 HD21 HD21 ' A' ' 344' ' ' LEU . 1.3 mp -69.39 -35.66 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.627 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -66.0 -45.52 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.696 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -74.34 -31.36 62.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.2 -37.02 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -43.61 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.19 -33.35 75.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -31.15 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -146.33 146.24 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.0 130.55 10.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 341' ' ' PHE . 14.3 mt -106.81 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.13 88.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 330' ' ' LEU . 3.9 mp -108.15 149.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -100.17 32.74 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.37 131.31 6.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -78.12 -36.49 47.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.82 -50.17 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' HG3' HD13 ' B' ' 348' ' ' LEU . 8.0 ttm180 -59.21 -51.38 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 18.1 t80 -61.69 -31.75 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.96 -38.19 90.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.438 ' O ' HD12 ' A' ' 344' ' ' LEU . 26.9 ttp -65.76 -56.72 10.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.357 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.435 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.7 m-85 -60.61 -26.38 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -72.58 -43.25 63.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 -32.1 67.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.799 HD23 HD11 ' D' ' 344' ' ' LEU . 1.2 mp -71.78 -32.75 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.587 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.41 -44.46 71.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.746 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.07 -38.17 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.78 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -70.13 -30.92 68.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.743 HD13 ' HD3' ' A' ' 351' ' ' LYS . 0.4 OUTLIER -70.33 -37.39 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.79 -31.06 70.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -46.4 55.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.743 ' HD3' HD13 ' A' ' 348' ' ' LEU . 4.0 ptmm? -68.78 -29.61 68.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.39 -31.34 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.6 m-85 -117.58 134.72 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.39 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.605 HD13 HD11 ' B' ' 332' ' ' ILE . 0.7 OUTLIER -111.07 132.2 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 331' ' ' GLY . . . . . 0.463 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -101.73 94.91 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.605 HD11 HD13 ' B' ' 330' ' ' LEU . 3.8 mp -113.67 125.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -100.84 70.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.46 138.54 4.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -35.21 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -48.59 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.408 ' HB3' HG21 ' B' ' 332' ' ' ILE . 0.4 OUTLIER -58.95 -50.52 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE2' ' HG ' ' A' ' 330' ' ' LEU . 51.5 t80 -59.93 -34.94 73.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.35 -39.12 86.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.6 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -65.23 -56.29 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.357 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD11 ' A' ' 330' ' ' LEU . 2.9 m-85 -62.87 -28.84 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -77.85 -41.49 36.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.0 110.547 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.44 -31.03 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.698 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.5 OUTLIER -73.73 -32.93 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.582 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.98 -42.23 69.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.721 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.61 -34.91 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.457 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -75.93 -30.69 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 344' ' ' LEU . 4.3 mt -75.22 -30.25 60.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -71.06 -30.99 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -34.52 76.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.7 -41.08 97.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.17 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 19.6 m-85 -110.72 143.54 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.8 107.29 2.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.706 HD12 ' CZ ' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -94.54 138.78 32.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.57 83.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.749 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -91.34 127.36 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -100.11 31.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.576 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -134.63 131.34 5.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -77.19 -40.03 46.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -66.44 -58.42 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.523 ' HG3' HG21 ' C' ' 332' ' ' ILE . 13.0 ptp180 -57.79 -42.03 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.31 -33.74 76.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.66 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.18 -38.6 91.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.428 ' O ' HD12 ' C' ' 344' ' ' LEU . 44.9 mtm -64.77 -53.37 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -59.37 -29.5 67.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -70.95 -47.21 60.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.647 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.698 ' CG ' HD21 ' B' ' 344' ' ' LEU . 0.8 OUTLIER -69.26 -34.96 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.619 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.4 -46.47 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.681 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -67.87 -36.13 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.698 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.17 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -39.21 76.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.779 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.46 -29.38 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -37.76 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 347' ' ' ALA . 1.9 ttmm -64.18 -35.47 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.26 -36.42 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.33 62.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -137.88 146.92 43.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.96 105.24 3.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -90.11 111.43 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.33 84.85 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.32 137.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.75 79.31 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.36 122.52 0.7 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.42 -46.71 89.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.8 -47.79 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.6 tpp180 -60.24 -52.88 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.706 ' CZ ' HD12 ' C' ' 330' ' ' LEU . 23.0 t80 -62.25 -31.2 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -36.37 83.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 mtm -66.53 -56.75 9.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.407 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.624 ' HE1' HD22 ' C' ' 344' ' ' LEU . 4.0 m-85 -61.67 -27.27 68.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.51 ' HA ' HD11 ' C' ' 330' ' ' LEU . 3.4 ttt85 -74.09 -42.7 59.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.57 -32.17 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.799 HD11 HD23 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -72.2 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.661 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.749 ' OD1' HG23 ' C' ' 332' ' ' ILE . 0.7 OUTLIER -70.52 -43.52 69.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.722 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.39 -36.66 83.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.8 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.5 -33.33 75.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.21 -41.45 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.78 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 24.2 mttm -65.06 -31.74 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.2 -37.98 86.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -146.92 125.23 12.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.08 145.88 20.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.804 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.2 tt -128.32 139.58 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.586 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -106.96 90.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.804 ' CD1' HD22 ' A' ' 330' ' ' LEU . 24.5 mm -94.24 126.12 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.65 30.25 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.578 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -142.83 136.38 7.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -35.87 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.03 -47.28 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' B' ' 348' ' ' LEU . 8.4 ttm180 -60.18 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.424 ' CE2' ' HG ' ' B' ' 330' ' ' LEU . 17.6 t80 -60.49 -31.74 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -39.01 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.372 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -65.41 -58.28 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.253 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' B' ' 330' ' ' LEU . 4.3 m-85 -60.52 -25.1 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -72.03 -40.3 68.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.94 -31.64 63.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' D' ' 344' ' ' LEU . 10.1 mt -75.07 -31.33 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -73.28 -38.39 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.707 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.5 mm-40 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.646 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -74.25 -33.92 63.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.69 HD13 ' CG ' ' B' ' 337' ' ' ARG . 3.4 mt -75.14 -27.09 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.05 -31.9 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.4 mm? -74.0 -43.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -29.66 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.9 -30.66 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.06 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -105.27 150.26 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.74 119.49 5.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.725 HD22 HD11 ' B' ' 332' ' ' ILE . 0.8 OUTLIER -106.35 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.49 5.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.725 HD11 HD22 ' B' ' 330' ' ' LEU . 3.9 mt -127.18 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -99.53 31.23 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.562 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -146.64 125.04 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.39 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.48 -44.34 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.69 ' CG ' HD13 ' A' ' 348' ' ' LEU . 13.9 mtm180 -60.09 -52.01 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 16.9 t80 -59.37 -33.07 70.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.706 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.24 -39.76 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttp -65.18 -55.18 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -74.82 -44.52 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.555 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.11 -29.39 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.375 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.789 ' O ' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -74.82 -39.13 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 179.686 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.15 -35.78 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.528 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.14 -46.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.574 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.2 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.789 HD13 ' O ' ' B' ' 344' ' ' LEU . 5.5 mp -71.27 -36.49 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.723 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.66 -30.52 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.38 -46.39 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -63.26 -34.45 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -31.55 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.86 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 39.0 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 3.9 m-85 -109.49 144.39 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.55 111.82 3.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' D' ' 330' ' ' LEU . 0.7 OUTLIER -96.26 129.62 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 331' ' ' GLY . . . . . 0.423 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -109.51 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.633 ' CD1' HD22 ' C' ' 330' ' ' LEU . 3.7 mp -108.92 153.22 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -122.94 44.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.15 146.84 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -65.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.5 -36.37 75.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.486 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.2 OUTLIER -63.34 -55.81 21.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 17.0 t80 -60.76 -33.58 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.412 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -35.4 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.267 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -66.87 -59.07 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.72 -26.87 67.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -74.48 -43.53 55.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.9 -29.84 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.326 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -73.89 -33.93 64.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.569 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.69 -43.86 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.704 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.433 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.6 tp10 -70.78 -31.39 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -71.12 -35.56 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.683 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.88 -30.66 71.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.433 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.6 mm? -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -65.36 -30.76 71.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.78 -31.36 64.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.07 -34.13 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 13.3 m-85 -106.45 123.53 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.89 140.46 15.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.899 HD12 HD11 ' D' ' 332' ' ' ILE . 2.1 pt? -141.35 152.62 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.36 93.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.899 HD11 HD12 ' D' ' 330' ' ' LEU . 29.7 mm -94.7 118.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.106 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -99.49 74.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.11 127.77 1.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -71.38 -47.88 53.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.0 -46.48 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -51.2 71.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.427 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 32.3 t80 -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.71 -38.73 86.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -64.54 -55.17 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.1 m-85 -59.68 -27.94 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.98 -45.61 49.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.57 -31.9 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.783 ' O ' HD23 ' D' ' 348' ' ' LEU . 45.2 mt -72.09 -32.39 66.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.89 -42.27 73.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -30.83 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.06 -34.65 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.783 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.8 mm? -71.44 -35.27 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.41 -28.09 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -41.2 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.682 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -69.95 -30.74 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.57 -31.46 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.94 51.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -152.91 131.57 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.55 126.32 7.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.872 HD23 HD11 ' A' ' 332' ' ' ILE . 17.4 tp -111.18 112.21 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -91.29 82.83 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.872 HD11 HD23 ' A' ' 330' ' ' LEU . 3.7 mp -86.68 145.45 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -114.72 39.52 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.71 136.69 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -77.29 -33.47 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.62 -55.32 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.495 ' HG3' HG21 ' A' ' 332' ' ' ILE . 8.2 ptp180 -58.17 -42.67 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.592 ' CD2' HD13 ' A' ' 332' ' ' ILE . 28.4 t80 -63.9 -36.24 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.47 -38.57 87.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.618 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -53.68 44.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.407 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 2.8 m-85 -59.67 -29.78 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -71.06 -46.61 61.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.898 HD11 HD21 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -73.81 -35.63 64.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.6 -38.41 80.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -68.21 -40.26 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -67.3 -42.68 83.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.14 -28.03 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.66 HD23 ' CD ' ' D' ' 354' ' ' GLN . 4.2 mp -70.13 -48.54 57.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -62.85 -30.69 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.75 -33.67 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.56 -32.64 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -143.4 134.93 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.89 122.3 7.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.55 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.616 HD23 ' N ' ' B' ' 331' ' ' GLY . 1.5 tt -108.54 138.71 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 331' ' ' GLY . . . . . 0.616 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -100.52 104.14 2.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' B' ' 337' ' ' ARG . 3.8 mp -108.78 127.01 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -106.5 31.36 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.593 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -141.61 131.08 4.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -62.95 -54.96 30.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -64.37 -37.47 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.636 ' HD2' HG23 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -63.14 -55.91 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.729 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.582 ' CD1' HD13 ' B' ' 332' ' ' ILE . 16.6 t80 -60.6 -31.77 70.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.64 -36.08 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttm -66.95 -56.04 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -27.24 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.68 -45.64 51.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.51 -31.08 66.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.857 HD11 HD21 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -72.54 -32.99 66.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.533 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 332' ' ' ILE . 3.0 t30 -69.28 -43.78 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.767 ' O ' HD23 ' B' ' 350' ' ' LEU . 12.7 pt-20 -70.73 -32.26 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -31.38 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -72.74 -36.48 67.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -67.43 -31.27 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.767 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -67.5 -39.63 85.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 30.9 mtpt -60.43 -31.26 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -63.94 -37.3 86.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.53 97.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -153.63 151.69 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -142.34 139.41 9.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' D' ' 338' ' ' PHE . 1.4 pt? -135.27 152.34 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.91 127.36 9.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.496 HD11 ' HG ' ' C' ' 330' ' ' LEU . 3.9 mp -122.7 147.18 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -118.21 78.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.67 144.99 4.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -75.22 -46.98 30.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.63 -32.07 73.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.487 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -65.96 -59.75 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.595 ' CE2' HD13 ' D' ' 330' ' ' LEU . 16.6 t80 -62.44 -30.69 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.249 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.87 -33.1 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.195 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -68.15 -58.93 3.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -63.69 -26.39 68.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -77.05 -38.43 52.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.523 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.55 -31.23 57.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.857 HD21 HD11 ' B' ' 344' ' ' LEU . 1.5 tp -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.557 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -73.31 -44.76 58.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.03 -34.13 68.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -75.42 -30.74 60.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.658 HD12 ' O ' ' C' ' 344' ' ' LEU . 5.5 mt -72.84 -33.62 66.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -66.32 -30.9 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.77 -47.01 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.85 -31.62 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -31.5 66.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.41 -31.19 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -141.41 140.32 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.82 120.49 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 1.06 HD23 HD11 ' D' ' 332' ' ' ILE . 19.9 tp -108.44 132.77 53.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -118.74 82.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 1.06 HD11 HD23 ' D' ' 330' ' ' LEU . 3.7 mp -83.36 146.96 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -114.93 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.82 148.15 6.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -77.81 -63.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.94 -35.86 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.649 ' CD ' HD13 ' C' ' 348' ' ' LEU . 3.3 tpp180 -63.71 -56.61 14.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' C' ' 330' ' ' LEU . 30.7 t80 -59.64 -32.46 70.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.312 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.466 ' O ' HD12 ' D' ' 344' ' ' LEU . 13.3 ttm -66.26 -59.91 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.164 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD23 ' C' ' 344' ' ' LEU . 4.1 m-85 -62.3 -24.98 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -77.43 -37.49 51.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.54 -29.58 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.898 HD21 HD11 ' A' ' 344' ' ' LEU . 1.1 mp -76.4 -32.12 58.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.669 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.12 -40.21 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.25 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.34 -31.23 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.96 -24.1 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -82.08 -32.86 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.719 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.5 pp -79.58 -29.09 41.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.719 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -80.78 -30.32 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.699 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.44 -29.69 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.89 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.66 ' CD ' HD23 ' A' ' 350' ' ' LEU . 9.8 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -121.88 109.55 14.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.55 142.04 15.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.853 ' CD1' HD11 ' A' ' 332' ' ' ILE . 1.4 pt? -136.35 141.21 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.91 106.15 2.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.853 HD11 ' CD1' ' A' ' 330' ' ' LEU . 3.5 mp -101.64 137.21 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -135.94 123.48 2.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -67.69 -34.75 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -46.97 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.464 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -60.3 -52.91 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.39 -32.28 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.6 -37.53 87.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.1 ttp -65.36 -55.32 18.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.01 -26.39 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -45.39 64.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.864 0.364 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.63 -30.32 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.089 HD21 HD22 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -75.03 -39.67 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.67 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -71.26 -34.85 71.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.17 -36.27 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -33.49 63.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.572 HD12 ' HD3' ' B' ' 337' ' ' ARG . 25.0 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -71.15 -30.57 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.63 -35.79 81.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 0.0 OUTLIER -65.04 -31.87 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.4 -32.75 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.86 78.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -133.57 147.16 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.81 141.71 15.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 1.019 HD22 HD11 ' B' ' 332' ' ' ILE . 0.9 OUTLIER -132.8 122.67 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.16 118.42 5.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 1.019 HD11 HD22 ' B' ' 330' ' ' LEU . 3.7 mp -129.86 138.95 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -100.65 31.41 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.475 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -130.78 112.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -33.68 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.28 -52.08 15.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.572 ' HD3' HD12 ' A' ' 348' ' ' LEU . 6.6 ttm180 -58.23 -48.94 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.694 ' CE2' HD22 ' A' ' 330' ' ' LEU . 16.5 t80 -61.53 -34.01 74.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.597 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.64 -38.17 86.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.474 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -65.36 -57.08 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.342 179.537 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.426 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.9 m-85 -60.43 -26.93 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -71.73 -41.44 68.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.548 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -30.74 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.483 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.877 HD21 HD21 ' C' ' 344' ' ' LEU . 1.2 mp -74.99 -31.99 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.688 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.41 ' OD1' HG23 ' A' ' 332' ' ' ILE . 10.8 t30 -73.34 -40.25 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.95 -31.94 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.464 HD13 ' HG2' ' A' ' 337' ' ' ARG . 37.8 mt -76.67 -28.65 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -30.33 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.22 -35.03 79.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 23.7 mttt -60.55 -33.83 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.44 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.82 94.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 18.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.438 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 16.7 m-85 -133.27 147.13 51.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.82 120.46 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.458 HD23 ' CE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -101.05 110.18 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.98 117.41 5.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.495 HD11 HD12 ' D' ' 330' ' ' LEU . 18.0 mt -129.61 136.97 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -31.04 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -87.16 137.39 14.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -70.21 -38.17 75.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.66 -53.2 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' C' ' 342' ' ' ARG . 19.6 t80 -60.04 -31.54 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.83 -38.55 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -65.51 -56.85 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.663 ' HB2' HD11 ' D' ' 330' ' ' LEU . 4.5 m-85 -60.68 -27.05 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.773 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.434 ' HD2' ' CE1' ' C' ' 338' ' ' PHE . 1.7 tpm_? -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.542 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.39 -31.89 60.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.486 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.877 HD21 HD21 ' B' ' 344' ' ' LEU . 1.5 mp -75.4 -32.63 60.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.54 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.57 -40.02 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.69 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.556 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.2 mm-40 -71.32 -38.04 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.694 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.461 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -71.23 -31.51 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.478 HD13 ' HD3' ' C' ' 351' ' ' LYS . 1.2 mm? -71.57 -35.93 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.47 -31.37 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.556 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.3 mp -67.2 -42.21 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.478 ' HD3' HD13 ' C' ' 348' ' ' LEU . 11.6 mtpt -59.85 -34.52 73.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -64.17 -38.85 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -152.92 150.69 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.49 127.65 9.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' C' ' 341' ' ' PHE . 0.6 OUTLIER -107.22 118.35 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.78 101.31 2.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.637 HD11 HD22 ' D' ' 330' ' ' LEU . 3.1 mp -109.22 139.27 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.05 31.25 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.594 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.09 141.96 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -78.17 -36.56 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.46 -49.62 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.9 ttm105 -59.32 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.621 ' HD1' HD13 ' D' ' 332' ' ' ILE . 35.9 t80 -62.43 -33.46 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.3 -36.79 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -65.85 -55.55 16.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.4 m-85 -59.03 -25.61 63.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -45.26 63.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.599 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -71.2 -31.81 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 1.089 HD22 HD21 ' A' ' 344' ' ' LEU . 64.4 mt -73.68 -30.98 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.47 -40.65 70.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.99 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.684 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -68.23 -31.8 71.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.821 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.7 mm? -68.39 -41.64 80.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -24.54 60.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' D' ' 350' ' ' LEU . 8.7 tp -75.21 -36.97 61.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -29.74 64.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.21 -33.21 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.86 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 20.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.0 m-85 -131.9 137.85 48.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.23 125.61 8.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.8 OUTLIER -114.79 114.68 25.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.34 82.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.744 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.5 mm -80.58 108.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 84.69 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.54 142.82 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -77.27 -36.14 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -48.02 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.726 ' HG3' HD13 ' B' ' 348' ' ' LEU . 8.4 ttm180 -59.54 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' B' ' 330' ' ' LEU . 36.5 t80 -61.23 -32.62 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.51 -37.87 87.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.486 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -57.02 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.324 179.559 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' B' ' 330' ' ' LEU . 3.5 m-85 -61.64 -26.63 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -72.17 -40.31 68.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.476 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.37 -31.26 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.879 HD21 HD21 ' D' ' 344' ' ' LEU . 1.4 mp -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -75.46 -39.79 58.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.731 ' O ' HD23 ' A' ' 350' ' ' LEU . 38.1 mt-10 -72.89 -30.68 64.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.727 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.576 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -75.46 -36.31 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.818 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.3 mt -72.15 -31.69 66.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -69.61 -30.71 68.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.78 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.5 mm? -66.41 -43.06 86.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -60.99 -36.51 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.55 80.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -146.86 129.57 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.08 122.03 5.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.715 HD23 HD11 ' B' ' 332' ' ' ILE . 6.2 tp -106.1 100.97 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -88.51 116.15 4.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.715 HD11 HD23 ' B' ' 330' ' ' LEU . 3.8 mp -125.62 120.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -79.25 -31.24 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -84.76 125.13 7.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -61.49 -47.21 86.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.818 ' CG ' HD13 ' A' ' 348' ' ' LEU . 9.3 mtm180 -59.74 -51.71 68.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.0 t80 -60.04 -33.62 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.67 -39.56 91.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -64.45 -55.38 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.2 m-85 -59.13 -25.58 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.002 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -41.75 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.584 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -74.99 -31.25 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.716 ' O ' HD12 ' B' ' 348' ' ' LEU . 28.4 mt -76.26 -30.31 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -74.33 -38.02 63.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -74.83 -32.57 61.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.451 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -76.68 -31.16 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.7 OUTLIER -76.03 -32.61 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.898 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -30.32 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.46 75.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.13 -35.46 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.23 -31.72 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.947 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.36 141.79 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.81 121.35 6.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.679 HD22 HG13 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -105.54 135.04 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.76 84.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.679 HG13 HD22 ' C' ' 330' ' ' LEU . 3.9 mt -89.33 120.5 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.21 86.5 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.41 142.66 3.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.32 -60.93 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -60.2 -39.02 85.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 1.6 tpp180 -62.23 -54.57 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 15.7 t80 -60.35 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.343 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.22 -58.17 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.295 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.495 ' HE1' HD22 ' D' ' 344' ' ' LEU . 4.0 m-85 -60.59 -27.39 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -74.97 -44.97 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.515 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.74 -32.01 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.645 HD22 HD22 ' B' ' 344' ' ' LEU . 62.2 mt -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.38 -45.99 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.68 -38.96 87.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.725 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.94 -31.87 71.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -38.72 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.682 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.54 -31.1 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.43 -41.33 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 7.9 mmtp -58.51 -30.88 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.61 -31.5 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.35 -45.18 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.347 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.5 m-85 -116.74 146.7 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.65 126.3 8.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.748 HD23 HD11 ' D' ' 332' ' ' ILE . 32.2 tp -108.66 143.1 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.32 82.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.748 HD11 HD23 ' D' ' 330' ' ' LEU . 3.7 mp -100.84 115.83 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.43 34.03 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.455 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.38 125.62 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.03 -36.02 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -73.4 -51.58 16.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -58.41 -49.86 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' C' ' 330' ' ' LEU . 19.7 t80 -61.42 -33.41 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.22 -37.72 86.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.451 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -56.68 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.3 m-85 -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.22 -42.67 71.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.82 -30.2 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.879 HD21 HD21 ' A' ' 344' ' ' LEU . 1.8 mp -74.23 -36.49 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.654 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -39.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.12 -24.09 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -82.06 -33.35 29.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.862 HD12 ' N ' ' D' ' 349' ' ' GLU . 4.0 pp -77.33 -31.0 54.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.805 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 349' ' ' GLU . . . . . 0.862 ' N ' HD12 ' D' ' 348' ' ' LEU . 12.8 pt-20 -74.35 -27.56 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.638 179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -33.5 74.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.576 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 19.8 mttm -61.08 -33.38 73.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -61.76 -51.1 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -107.99 152.33 24.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.34 132.97 11.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.594 HD22 HG13 ' A' ' 332' ' ' ILE . 0.8 OUTLIER -116.5 135.9 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.346 . . . . 0.0 110.904 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -92.66 82.55 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.594 HG13 HD22 ' A' ' 330' ' ' LEU . 4.8 mt -93.59 112.77 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -92.24 80.24 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.85 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -32.92 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.66 -50.36 17.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.511 ' CD ' HD13 ' B' ' 348' ' ' LEU . 3.6 ttm105 -59.15 -51.48 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.734 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.677 ' CE2' HD12 ' B' ' 330' ' ' LEU . 44.0 t80 -61.86 -32.38 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.0 ttm -66.28 -56.65 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 5.3 m-85 -60.8 -27.73 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.693 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -74.77 -43.97 52.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 -32.03 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.769 HD21 HD11 ' D' ' 344' ' ' LEU . 0.8 OUTLIER -70.43 -40.49 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.592 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.64 -40.12 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.659 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.34 -45.09 89.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.12 -31.62 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.812 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.456 HD22 ' HG2' ' B' ' 337' ' ' ARG . 1.1 mp -66.14 -49.56 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.13 -30.61 71.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.41 -43.4 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -66.38 -30.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.17 -31.33 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.53 59.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -138.47 143.96 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.37 137.58 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.677 HD12 ' CE2' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -125.67 125.92 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.44 99.97 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.62 HD11 HD22 ' B' ' 330' ' ' LEU . 4.0 mp -107.26 124.53 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -83.38 77.47 9.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 117.59 0.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -45.27 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.88 -49.28 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.456 ' HG2' HD22 ' A' ' 348' ' ' LEU . 1.5 tpp180 -59.41 -50.95 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.787 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 16.5 t80 -62.29 -33.08 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.453 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.44 -37.1 84.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.38 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.2 -58.27 6.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.261 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.655 ' HE1' HD22 ' A' ' 344' ' ' LEU . 5.0 m-85 -59.87 -28.02 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.567 ' HA ' HD11 ' A' ' 330' ' ' LEU . 3.6 ttt180 -73.51 -42.5 61.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.94 -31.35 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.644 HD13 HD11 ' C' ' 344' ' ' LEU . 44.0 mt -70.85 -34.69 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.533 ' OD1' HG23 ' A' ' 332' ' ' ILE . 0.4 OUTLIER -70.14 -44.89 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.12 -30.5 66.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.755 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.476 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -76.5 -34.31 58.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.518 HD23 ' HE3' ' B' ' 351' ' ' LYS . 0.5 OUTLIER -73.29 -30.05 63.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.881 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.5 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -41.58 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.568 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 5.0 ptpt -69.93 -29.24 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.9 -31.42 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.64 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -152.72 112.93 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.89 114.84 4.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.711 HD22 HG13 ' C' ' 332' ' ' ILE . 0.7 OUTLIER -99.7 132.16 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.943 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.67 83.25 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.711 HG13 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -91.22 115.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -92.32 76.68 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.78 143.84 6.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -78.36 -48.49 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.22 -43.51 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.64 ' HG3' HD13 ' D' ' 348' ' ' LEU . 2.2 ttm180 -61.23 -53.79 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 16.4 t80 -61.26 -31.74 71.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.27 -36.14 83.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.8 mtp -67.4 -56.28 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.594 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.7 m-85 -62.88 -25.46 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -76.98 -41.69 41.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.59 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.01 -30.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.644 HD11 HD13 ' B' ' 344' ' ' LEU . 2.0 tp -75.42 -29.87 59.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -74.57 -40.9 61.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.572 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.3 OUTLIER -72.02 -34.54 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.568 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -74.94 -34.17 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.536 HD13 ' CG ' ' D' ' 337' ' ' ARG . 11.8 mt -72.45 -29.98 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.72 -30.76 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.572 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.1 mm? -62.89 -37.01 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 15.8 mttt -58.19 -35.97 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.58 -41.09 89.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.3 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 9.8 m-85 -105.29 123.81 48.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.27 141.8 17.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' D' ' 332' ' ' ILE . 0.8 OUTLIER -140.07 132.55 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 331' ' ' GLY . . . . . 0.481 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -97.4 82.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' D' ' 330' ' ' LEU . 3.8 mp -89.64 110.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -83.9 77.26 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.35 114.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.82 -37.47 82.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.45 -47.25 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.536 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.72 -51.62 69.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.894 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 17.0 t80 -60.65 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.62 -37.76 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.11 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 179.507 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.405 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.57 -26.67 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -71.38 -44.9 64.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -29.52 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.769 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -73.52 -36.9 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.628 179.709 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.07 -39.37 82.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.753 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' HD23 ' D' ' 350' ' ' LEU . 5.6 mm-40 -70.14 -39.01 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -70.86 -31.12 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.64 HD13 ' HG3' ' C' ' 337' ' ' ARG . 1.5 mt -75.49 -29.57 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.8 -31.13 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.486 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.9 mm? -74.89 -42.82 57.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -29.07 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.59 -31.2 52.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.09 62.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.979 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 13.8 m-85 -147.64 138.32 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.4 139.09 14.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.822 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.1 tt -128.4 127.02 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -95.63 82.14 0.84 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.822 ' CD1' HD22 ' A' ' 330' ' ' LEU . 25.4 mm -77.55 123.67 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 36.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.442 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.42 135.54 7.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -67.36 -66.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.27 -36.48 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.542 ' HG3' HD13 ' B' ' 348' ' ' LEU . 11.6 ttm180 -62.7 -55.25 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' B' ' 330' ' ' LEU . 74.2 t80 -59.95 -36.0 76.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.26 -35.42 77.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -66.4 -57.28 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.423 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.59 -27.54 68.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -41.16 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.38 -30.35 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.753 ' O ' HD12 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -74.18 -32.27 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.75 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.48 -41.47 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.67 -32.0 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.769 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.69 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.9 OUTLIER -76.09 -28.73 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.46 -29.56 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.781 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.24 -34.62 76.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -62.4 -31.44 72.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -31.47 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.06 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -113.11 142.0 46.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.05 115.9 4.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.799 HD12 ' CE2' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -107.16 135.56 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.41 86.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.606 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -88.93 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -124.29 74.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 159.5 146.52 4.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -76.7 -45.3 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -61.4 -45.91 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.693 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.85 -53.85 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 179.844 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 15.7 t80 -62.11 -31.82 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.404 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.29 -36.5 83.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.361 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -66.68 -58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.275 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.457 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 3.5 m-85 -63.22 -25.86 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -76.73 -38.51 54.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.562 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.3 -30.3 57.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.84 ' CD1' HD11 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -75.23 -30.93 60.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.765 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -74.6 -41.82 59.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.72 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 350' ' ' LEU . 41.7 tt0 -70.76 -31.78 68.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.29 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 337' ' ' ARG . 8.0 mt -70.56 -31.88 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.664 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -31.07 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.652 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -64.74 -45.08 87.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.471 ' HE2' ' HB2' ' C' ' 347' ' ' ALA . 10.5 ttmm -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -32.78 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.999 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -125.74 142.62 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.3 123.16 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.626 HD22 HD11 ' C' ' 332' ' ' ILE . 3.4 tt -109.14 135.92 49.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.06 115.4 5.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.659 HG21 ' HB2' ' C' ' 338' ' ' PHE . 3.7 mp -121.84 129.82 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -111.08 33.04 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.571 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -150.0 140.81 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -77.63 -41.64 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.49 -48.39 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 6.6 ttm180 -59.2 -50.82 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.659 ' HB2' HG21 ' C' ' 332' ' ' ILE . 21.7 t80 -60.53 -31.33 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.648 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -40.34 97.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 27.8 mtm -64.25 -54.28 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -58.75 -28.01 65.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -73.72 -49.79 23.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.557 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -30.97 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.994 HD12 HD11 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -69.47 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.471 179.543 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.36 -38.61 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.766 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.616 ' O ' HD23 ' C' ' 350' ' ' LEU . 7.8 tt0 -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.724 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.471 ' HB2' ' HE2' ' B' ' 351' ' ' LYS . . . -74.63 -30.23 61.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 179.826 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.994 HD11 HD12 ' C' ' 344' ' ' LEU . 9.3 mt -76.26 -28.95 57.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.29 -29.53 62.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.616 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.0 mm? -74.37 -45.34 47.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -28.53 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.96 -30.99 44.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.45 -31.18 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.46 144.85 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.01 137.48 13.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.696 HD22 HG13 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -119.77 122.5 41.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.15 82.93 0.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.696 HG13 HD22 ' D' ' 330' ' ' LEU . 4.6 mt -84.61 126.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.067 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 33.48 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.553 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -146.83 143.11 11.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -77.35 -42.56 36.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.61 ' HG2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.74 -51.81 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.48 ' HA ' HD13 ' D' ' 332' ' ' ILE . 17.1 t80 -59.3 -33.08 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -41.02 96.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 mtm -65.69 -55.98 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.288 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -63.24 -26.05 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -76.65 -42.28 42.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.562 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -31.98 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.753 ' CG ' HD21 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.26 -31.1 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.607 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.66 -43.22 66.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.47 -34.93 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.52 -29.47 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.491 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.4 mm? -73.17 -37.71 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.79 -28.3 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.81 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.43 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -74.26 -29.35 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.11 -30.71 55.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.77 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.9 m-85 -128.31 137.65 52.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.55 103.19 2.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.412 ' HG ' HD11 ' A' ' 332' ' ' ILE . 15.7 tp -88.87 123.49 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.33 3.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.645 HD13 ' CD2' ' B' ' 330' ' ' LEU . 3.5 mp -120.37 153.57 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -134.63 50.61 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.46 19.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -60.61 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -37.73 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.3 OUTLIER -63.36 -56.83 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' CB ' ' B' ' 328' ' ' PHE . 23.0 t80 -60.83 -31.62 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.39 -36.82 83.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.4 mtm -66.25 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.022 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.8 m-85 -60.1 -23.73 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -73.35 -42.95 61.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.384 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.45 -32.04 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.012 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.5 -33.68 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.559 ' ND2' ' CZ ' ' B' ' 341' ' ' PHE . 1.0 OUTLIER -68.83 -43.28 75.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -72.72 -31.71 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.86 52.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -76.29 -30.08 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -72.72 -31.04 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.9 -36.72 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -61.45 -35.15 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -40.54 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.27 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.998 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.443 ' CB ' ' CD1' ' A' ' 338' ' ' PHE . 22.1 m-85 -110.71 145.46 37.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -133.72 144.39 16.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.645 ' CD2' HD13 ' A' ' 332' ' ' ILE . 1.9 pt? -144.08 134.65 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.04 9.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.707 HG21 ' HD2' ' B' ' 337' ' ' ARG . 3.7 mp -127.29 140.07 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -98.8 31.14 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.438 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -125.01 135.85 9.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -78.19 -38.77 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -72.01 -49.66 35.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.707 ' HD2' HG21 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -59.41 -52.24 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.728 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 40.0 t80 -61.78 -33.02 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -38.02 88.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.542 179.638 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -64.8 -55.84 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.559 ' CZ ' ' ND2' ' A' ' 345' ' ' ASN . 5.3 m-85 -59.25 -25.36 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.052 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -72.71 -31.05 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.549 ' CD2' HD22 ' C' ' 344' ' ' LEU . 14.3 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.714 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -74.39 -42.76 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.56 -31.38 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 344' ' ' LEU . 1.9 mm? -74.65 -33.39 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.07 -31.35 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.608 HD12 ' NE2' ' B' ' 354' ' ' GLN . 0.1 OUTLIER -66.05 -34.4 77.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 16.3 mttt -61.67 -35.83 79.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.63 -38.66 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.85 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.608 ' NE2' HD12 ' B' ' 350' ' ' LEU . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -105.97 97.68 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.26 153.49 26.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.823 HD22 ' CE2' ' D' ' 338' ' ' PHE . 1.5 pt? -157.96 152.59 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.23 84.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.446 HG13 HD12 ' C' ' 330' ' ' LEU . 2.8 mp -75.79 126.5 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -94.0 147.24 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.26 136.53 6.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -75.06 -30.63 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.27 -49.16 36.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.497 ' CG ' HD23 ' D' ' 348' ' ' LEU . 0.4 OUTLIER -59.27 -51.63 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 179.914 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -62.25 -35.17 78.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.44 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.0 -35.48 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -65.95 -57.85 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.297 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -59.07 -23.5 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.583 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.83 -29.72 61.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.549 HD22 ' CD2' ' B' ' 344' ' ' LEU . 89.2 mt -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -75.26 -42.68 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.03 -30.73 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.766 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.451 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -78.86 -30.95 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.683 HD13 ' CG ' ' D' ' 337' ' ' ARG . 7.3 mt -76.84 -29.67 56.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -73.15 -30.82 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.23 -36.0 78.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.81 -36.92 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.79 -31.55 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.79 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -141.36 118.2 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.79 165.01 53.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.729 HD13 HD11 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -155.34 135.8 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' D' D ' 331' ' ' GLY . . . . . 0.433 ' H ' HD23 ' D' ' 330' ' ' LEU . . . -111.81 90.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.729 HD11 HD13 ' D' ' 330' ' ' LEU . 4.7 mt -104.37 128.46 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -95.18 71.22 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.35 134.42 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -77.26 -31.65 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -71.21 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.683 ' CG ' HD13 ' C' ' 348' ' ' LEU . 31.7 mtm-85 -58.24 -42.04 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.823 ' CE2' HD22 ' C' ' 330' ' ' LEU . 15.9 t80 -67.98 -30.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.414 ' HA ' ' CG ' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.562 ' O ' HD12 ' D' ' 344' ' ' LEU . 3.1 mtp -73.45 -51.0 18.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.382 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.524 ' HD1' HD13 ' D' ' 332' ' ' ILE . 2.0 m-85 -67.09 -29.45 69.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.41 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' D' ' 339' ' ' GLU . 4.2 ppt_? -83.27 -34.3 25.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.865 0.364 . . . . 0.0 110.387 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.89 -30.54 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.255 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 1.012 HD21 HD21 ' A' ' 344' ' ' LEU . 6.3 mt -76.4 -37.21 57.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -70.09 -38.42 75.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.5 -42.22 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.42 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.768 179.577 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.799 HD13 ' O ' ' D' ' 344' ' ' LEU . 5.6 mp -77.3 -25.53 51.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -79.83 -35.21 38.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.764 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.4 pp -77.82 -31.64 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.764 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -78.33 -28.24 47.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.746 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.75 -30.61 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -153.22 152.59 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.33 143.09 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.826 ' CD1' HD11 ' A' ' 332' ' ' ILE . 1.1 pt? -136.45 151.71 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -121.45 86.48 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.826 HD11 ' CD1' ' A' ' 330' ' ' LEU . 3.7 mp -74.68 144.82 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -98.61 34.25 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.35 119.97 1.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.46 -34.83 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -71.89 -49.33 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.663 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.13 -50.9 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.784 ' CE1' HD23 ' B' ' 330' ' ' LEU . 17.4 t80 -60.39 -32.17 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -62.58 -40.08 95.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.412 ' O ' HD12 ' A' ' 344' ' ' LEU . 9.0 mtm -66.06 -55.95 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.286 179.509 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.31 -25.69 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -73.69 -41.05 63.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.593 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -74.37 -31.77 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.51 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.786 ' O ' HD12 ' A' ' 348' ' ' LEU . 1.4 mp -74.61 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.679 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.552 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 11.7 m-80 -71.43 -39.32 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.6 -35.9 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.21 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.09 -30.83 58.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.2 -31.43 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.799 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.23 -33.81 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.562 ' CE ' ' HB2' ' D' ' 347' ' ' ALA . 5.2 mtpm? -61.63 -34.04 74.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.23 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.38 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.979 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 15.6 m-85 -122.89 147.64 46.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.63 133.42 6.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.784 HD23 ' CE1' ' A' ' 338' ' ' PHE . 3.8 pp -135.2 149.11 49.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.14 157.12 20.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' B' ' 330' ' ' LEU . 3.8 mp -143.49 135.74 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.62 34.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.75 129.74 2.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -69.91 -32.49 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.71 -47.02 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 348' ' ' LEU . 10.6 mtm180 -59.79 -51.69 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.748 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.728 ' CE1' HD22 ' A' ' 330' ' ' LEU . 17.5 t80 -60.43 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.647 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.86 -38.68 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.515 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -65.78 -55.95 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.413 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.552 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 3.2 m-85 -61.22 -25.7 67.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -75.98 -45.78 33.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.54 -30.19 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.438 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.778 HD21 ' HG ' ' C' ' 344' ' ' LEU . 2.3 mt -73.76 -31.0 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.618 179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.406 ' OD1' HG23 ' A' ' 332' ' ' ILE . 0.7 OUTLIER -72.03 -44.04 64.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.74 179.848 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.48 -32.33 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.45 56.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.663 HD13 ' HG2' ' A' ' 337' ' ' ARG . 8.5 mt -75.05 -32.45 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.781 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.7 -30.63 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.438 HD12 HE22 ' B' ' 354' ' ' GLN . 0.2 OUTLIER -67.68 -36.47 80.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.444 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 11.8 mtpt -64.57 -31.87 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.85 -35.84 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -35.31 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.438 HE22 HD12 ' B' ' 350' ' ' LEU . 2.4 mp0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.328 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.3 m-85 -142.2 143.95 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.85 134.5 12.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -105.22 105.74 15.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.89 2.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.528 HD13 ' HE2' ' C' ' 341' ' ' PHE . 23.7 mt -132.1 148.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -105.53 36.41 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.51 131.86 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -77.42 -36.56 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.56 -54.81 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -57.83 -47.45 82.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.76 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 74.9 t80 -62.45 -34.66 77.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 179.726 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -60.91 -38.71 86.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.432 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.4 ttp -64.67 -55.99 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.528 ' HE2' HD13 ' C' ' 332' ' ' ILE . 3.8 m-85 -60.94 -28.9 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.02 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -75.65 -42.79 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -31.59 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.778 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.41 -33.4 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.712 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -73.6 -42.97 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.41 -31.39 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.89 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.626 HD13 ' HD3' ' D' ' 337' ' ' ARG . 6.0 mt -75.86 -31.41 59.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.34 -30.72 65.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.9 -41.26 71.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -63.95 -31.42 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.15 -32.78 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.69 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 26.1 m-85 -109.39 147.93 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -114.92 142.27 17.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.95 137.46 47.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.1 82.5 0.37 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.516 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -86.96 117.74 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -94.91 76.83 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.94 133.76 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -71.09 -35.55 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.39 -49.69 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.626 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.15 -50.92 72.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 50.5 t80 -60.67 -32.19 71.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.33 -39.11 91.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -56.92 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 2.9 m-85 -62.41 -26.97 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.761 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -76.54 -43.17 40.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.565 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -71.72 -31.67 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.778 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -71.61 -35.0 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.679 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.93 -43.4 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.17 -31.17 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.562 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -74.21 -31.67 62.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.7 mm? -72.67 -38.37 67.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.3 -28.96 66.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.88 -43.78 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.757 ' HD3' HD13 ' D' ' 348' ' ' LEU . 10.3 ptmt -70.35 -30.8 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.55 -31.44 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.35 67.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -137.7 122.39 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.57 116.05 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.486 HD22 HG13 ' A' ' 332' ' ' ILE . 1.1 tt -106.37 122.43 46.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.486 HG13 HD22 ' A' ' 330' ' ' LEU . 4.5 mt -87.73 133.64 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -116.44 77.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.07 140.22 3.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -73.62 -64.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -59.95 -36.28 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.562 ' HG3' HD22 ' B' ' 348' ' ' LEU . 7.9 ttm180 -63.86 -56.48 15.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 19.2 t80 -60.13 -31.07 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.04 -36.55 84.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.454 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.03 -57.35 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -63.02 -26.1 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -77.41 -41.91 38.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.45 -29.81 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.688 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.54 -34.12 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.681 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -71.33 -39.36 71.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 350' ' ' LEU . 4.9 tp10 -71.88 -38.0 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.5 -31.75 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.656 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.3 mt -73.88 -30.19 62.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.51 -30.55 68.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.799 179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 346' ' ' GLU . 1.4 mp -64.33 -39.87 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.779 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 19.5 mtpp -59.55 -36.1 75.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.26 -38.76 92.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.75 -31.19 61.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 26.0 m-85 -104.89 152.42 22.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.49 110.63 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.573 HD22 HG13 ' B' ' 332' ' ' ILE . 1.1 tt -101.16 128.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.26 95.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.573 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -99.21 126.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.0 31.96 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.564 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -140.7 129.27 4.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -68.05 -39.45 83.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -71.95 -48.15 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.656 ' CG ' HD13 ' A' ' 348' ' ' LEU . 12.2 mtm180 -59.13 -51.05 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -60.21 -33.18 71.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.82 -38.91 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.503 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.77 -56.52 13.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.5 m-85 -60.4 -28.46 68.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -72.61 -44.2 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.58 -31.07 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.423 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.699 ' CG ' HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -71.67 -36.41 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.656 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -68.34 -43.91 76.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.68 -37.55 67.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.21 -25.16 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 337' ' ' ARG . 15.8 tp -76.61 -35.01 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -72.13 -29.07 63.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.49 -31.75 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.539 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 32.8 mttm -64.83 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -41.53 97.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.1 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.442 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 28.8 m-85 -142.1 136.9 30.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -110.96 144.01 17.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.521 HD23 HD11 ' C' ' 332' ' ' ILE . 6.4 tp -141.26 131.06 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 331' ' ' GLY . . . . . 0.439 ' C ' HD12 ' C' ' 332' ' ' ILE . . . -101.44 131.54 10.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.613 HD12 ' N ' ' C' ' 332' ' ' ILE . 3.0 mp -132.84 144.61 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -108.65 38.26 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.36 11.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -78.18 -46.92 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.05 -41.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.484 ' HG2' HG21 ' C' ' 332' ' ' ILE . 13.2 ttp180 -62.48 -55.43 27.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 38.8 t80 -63.82 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.355 179.612 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -32.91 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.313 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -68.35 -57.65 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 179.538 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.536 ' CE1' ' ND2' ' D' ' 345' ' ' ASN . 2.8 m-85 -63.96 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -76.86 -37.44 55.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.67 -30.77 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.699 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.0 OUTLIER -75.78 -32.54 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 179.74 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -73.87 -38.44 64.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.74 -31.74 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.539 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -78.4 -30.84 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.558 HD13 ' CD ' ' D' ' 337' ' ' ARG . 2.2 mt -77.88 -30.26 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.756 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.75 -28.15 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.82 -40.25 65.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.453 ' NZ ' HD23 ' C' ' 348' ' ' LEU . 1.4 ptpp? -65.66 -29.52 70.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.46 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.26 68.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.0 m-85 -134.19 136.31 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.99 132.0 10.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.62 109.99 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.91 116.7 5.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.59 151.26 34.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.28 34.8 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.6 122.56 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.09 68.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.42 -48.83 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.558 ' CD ' HD13 ' C' ' 348' ' ' LEU . 7.6 ttm180 -59.54 -51.83 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 23.5 t80 -61.04 -31.61 71.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -63.36 -38.5 91.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttm -65.09 -55.72 17.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.362 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.1 m-85 -58.87 -28.01 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -74.27 -49.02 24.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.73 -30.45 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.357 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -69.88 -41.96 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.556 179.71 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' C' ' 341' ' ' PHE . 23.6 m-80 -61.82 -40.52 95.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.736 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -72.54 -35.01 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.779 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -75.22 -32.05 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.434 HD13 ' HD3' ' C' ' 337' ' ' ARG . 12.7 mt -74.08 -30.71 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -30.79 67.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.97 -35.95 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -35.86 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -40.02 89.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.16 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.993 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -126.68 136.18 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -77.72 146.45 31.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 332' ' ' ILE . 17.0 tp -131.81 141.0 49.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.52 82.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 330' ' ' LEU . 28.7 mm -92.51 134.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.71 31.13 3.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.527 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -134.14 125.21 3.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.25 87.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -49.76 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.6 ttm180 -59.1 -50.8 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 33.8 t80 -61.16 -32.51 72.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.542 179.7 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.7 -39.33 93.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.31 -54.67 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -58.91 -27.57 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HA ' HD11 ' B' ' 330' ' ' LEU . 0.0 OUTLIER -70.22 -45.2 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 179.781 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.79 -31.52 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.839 HD21 HD21 ' D' ' 344' ' ' LEU . 0.5 OUTLIER -72.15 -31.97 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.648 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.48 -44.12 68.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.12 -31.04 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.541 ' HB2' ' HE2' ' D' ' 351' ' ' LYS . . . -75.12 -32.18 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.6 mm? -73.01 -35.51 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.45 -30.82 69.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.89 -41.98 81.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -60.21 -31.63 70.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -31.67 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.51 -39.22 62.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.954 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 5.3 m-85 -137.04 139.31 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.09 134.72 12.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.597 HD23 ' N ' ' B' ' 331' ' ' GLY . 1.4 tt -130.53 139.07 50.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 331' ' ' GLY . . . . . 0.597 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -105.39 90.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.557 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -89.14 125.75 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -98.03 75.84 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.94 129.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -32.75 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.13 -54.34 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.6 ttm180 -58.29 -46.97 85.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.26 -32.35 73.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.506 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttm -65.42 -54.99 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.459 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -74.6 -46.09 40.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -70.88 -31.81 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.853 ' CD1' HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -72.62 -31.22 64.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.656 179.703 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.475 ' CG ' HD12 ' A' ' 332' ' ' ILE . 29.7 t30 -70.67 -43.33 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -70.35 -35.74 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.67 -30.54 64.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.956 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.803 HD23 HD23 ' B' ' 344' ' ' LEU . 1.0 OUTLIER -72.24 -36.37 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.896 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.06 -30.22 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.59 -45.0 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.788 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -69.09 -30.58 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -73.35 -31.28 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.39 -31.15 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -132.34 129.3 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.25 122.3 6.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.629 HD22 HG13 ' C' ' 332' ' ' ILE . 1.2 tt -102.74 111.91 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.35 82.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.629 HG13 HD22 ' C' ' 330' ' ' LEU . 4.6 mt -89.97 136.1 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.325 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -123.54 31.28 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.581 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -143.82 144.95 14.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -77.01 -47.18 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -65.64 -41.91 92.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.17 -53.65 54.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.779 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.484 ' CE2' HD12 ' D' ' 330' ' ' LEU . 18.9 t80 -59.59 -31.81 69.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.02 -38.82 92.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.503 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttm -65.04 -55.63 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.5 m-85 -60.56 -28.07 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.693 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.49 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.557 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -37.26 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.853 HD21 ' CD1' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -70.91 -37.14 72.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.469 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -35.75 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.51 -50.89 63.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.536 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.35 -29.12 70.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.68 HD13 ' CG ' ' D' ' 337' ' ' ARG . 2.9 tp -66.13 -39.99 90.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.07 -30.51 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -31.46 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.17 -32.0 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.47 -31.79 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.37 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.962 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -98.82 152.65 19.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -129.05 136.87 9.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.655 HD22 HG13 ' D' ' 332' ' ' ILE . 1.1 tt -126.85 123.93 38.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.15 87.55 0.84 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.655 HG13 HD22 ' D' ' 330' ' ' LEU . 3.8 mp -81.15 131.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.31 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.439 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -137.16 138.6 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -76.43 -52.02 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -44.66 89.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.692 HH12 HD23 ' C' ' 344' ' ' LEU . 0.0 OUTLIER -58.44 -50.79 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' D' ' 342' ' ' ARG . 77.7 t80 -56.97 -37.26 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.09 -42.29 90.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.352 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mtm -64.61 -58.24 6.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.021 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HD3' ' D' ' 337' ' ' ARG . 6.2 m-85 -58.86 -22.65 59.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.468 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -74.56 -47.4 32.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.435 179.539 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.86 -31.46 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.66 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -46.22 67.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.482 ' O ' HD23 ' D' ' 350' ' ' LEU . 12.9 pt-20 -70.46 -31.79 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.839 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.07 60.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.765 HD13 ' HD2' ' D' ' 351' ' ' LYS . 1.2 mm? -72.86 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.24 -30.87 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.482 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.4 mm? -71.03 -48.74 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' D' ' 348' ' ' LEU . 19.3 ptpt -66.81 -29.65 69.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -72.78 -31.47 64.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.91 63.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.79 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -147.63 135.37 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.03 120.45 6.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 332' ' ' ILE . 0.7 OUTLIER -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -114.78 101.44 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.91 HD11 HD22 ' A' ' 330' ' ' LEU . 3.9 mp -102.85 146.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.91 77.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.73 3.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -76.96 -33.65 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -47.26 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.609 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -60.11 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 179.864 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.798 ' CE1' HD23 ' B' ' 330' ' ' LEU . 91.3 t80 -60.88 -31.63 71.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -37.17 86.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttm -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.278 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 -23.81 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.546 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -71.39 -41.71 69.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.542 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.29 -31.84 62.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.726 HD11 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.87 -32.02 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.573 179.71 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -71.74 -39.89 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.599 ' O ' HD23 ' A' ' 350' ' ' LEU . 20.5 mt-10 -71.42 -36.54 71.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.1 -33.26 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.89 -31.87 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.57 -31.35 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -66.6 -46.07 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -31.16 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.06 -39.02 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.978 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -121.94 136.46 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.28 149.57 16.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.798 HD23 ' CE1' ' A' ' 338' ' ' PHE . 1.7 pp -143.57 150.01 38.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.72 114.98 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.728 HD11 HD13 ' B' ' 330' ' ' LEU . 26.8 mm -112.86 123.14 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -98.83 33.06 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.524 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -145.3 138.51 7.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -76.81 -35.57 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.61 -47.54 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.2 ttm105 -59.76 -51.38 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.778 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 330' ' ' LEU . 15.8 t80 -62.25 -33.85 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.42 -36.12 82.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -56.52 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.1 m-85 -59.71 -25.72 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -76.34 -48.17 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.457 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.64 -31.76 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.928 HD11 HD21 ' C' ' 344' ' ' LEU . 2.7 mm? -71.62 -45.65 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.373 179.478 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.803 ' OD1' HG23 ' A' ' 332' ' ' ILE . 20.4 t30 -62.34 -35.03 77.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -42.37 61.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.06 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.609 HD13 ' HG2' ' A' ' 337' ' ' ARG . 3.0 mt -75.03 -30.57 61.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.7 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.33 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.763 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 1.4 mptp? -60.1 -33.89 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.87 -43.86 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -180.0 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 18.5 m-85 -133.76 151.84 51.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 139.37 14.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.604 ' CD2' HD11 ' C' ' 332' ' ' ILE . 24.1 tp -133.13 118.7 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.27 120.05 6.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.604 HD11 ' CD2' ' C' ' 330' ' ' LEU . 4.3 mt -127.28 126.9 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.044 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -75.7 -31.17 59.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.1 130.91 22.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -76.12 -44.6 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.55 -51.84 63.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.824 ' HG2' HD22 ' D' ' 348' ' ' LEU . 1.6 tpp180 -58.53 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.507 ' HD1' HD12 ' C' ' 332' ' ' ILE . 52.5 t80 -62.27 -33.18 74.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.62 -36.55 83.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.347 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.567 ' O ' HD12 ' C' ' 344' ' ' LEU . 8.2 ttm -65.45 -58.13 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.475 ' HD2' HD13 ' C' ' 332' ' ' ILE . 6.2 m-85 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -71.5 -42.09 68.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.98 -32.32 73.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.928 HD21 HD11 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -67.66 -43.43 80.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.649 179.719 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.86 -47.37 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.763 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -63.99 -26.45 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.737 HD22 ' CD ' ' D' ' 337' ' ' ARG . 24.1 tp -69.38 -43.8 72.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.2 -24.31 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.83 -38.86 57.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.22 -29.17 65.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.53 -39.84 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.23 -31.18 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.344 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 3.8 m-85 -129.08 142.46 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.41 133.8 12.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.682 HD23 HD11 ' D' ' 332' ' ' ILE . 11.8 tp -118.12 129.81 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.49 82.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.682 HD11 HD23 ' D' ' 330' ' ' LEU . 3.6 mp -94.58 129.66 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.41 32.2 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.539 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.18 126.68 3.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.24 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.34 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.737 ' CD ' HD22 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -57.45 -37.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 42.4 t80 -66.58 -40.09 88.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -59.94 -34.99 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -56.39 11.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.429 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.652 ' HE2' HD22 ' C' ' 344' ' ' LEU . 3.1 m-85 -61.51 -31.04 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.8 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -76.36 -43.09 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.5 -30.95 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.726 HD11 HD11 ' A' ' 344' ' ' LEU . 1.4 tt -70.51 -38.84 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.51 179.689 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -64.09 -43.85 94.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.45 73.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.8 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.824 HD22 ' HG2' ' C' ' 337' ' ' ARG . 4.1 tp -68.1 -36.88 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.676 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -31.1 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -37.86 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.72 -31.35 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.31 -31.55 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.37 -31.13 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -135.88 133.2 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.38 133.03 11.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.989 HD22 HD11 ' A' ' 332' ' ' ILE . 1.0 OUTLIER -133.82 140.18 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 331' ' ' GLY . . . . . 0.434 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -126.83 126.95 5.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.989 HD11 HD22 ' A' ' 330' ' ' LEU . 3.8 mp -131.83 132.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.25 -30.94 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -71.04 119.95 8.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -36.49 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.91 -48.19 72.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.63 ' HD2' HD11 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.08 -49.56 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' B' ' 330' ' ' LEU . 15.6 t80 -58.67 -35.69 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.75 -41.88 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.303 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.483 ' HE3' ' HG2' ' C' ' 340' ' ' MET . 2.8 mmm -64.8 -58.91 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.07 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.507 ' HE1' HD22 ' B' ' 344' ' ' LEU . 6.3 m-85 -60.36 -25.09 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.525 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -78.12 -46.17 21.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.342 . . . . 0.0 110.451 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.07 -30.33 68.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.409 179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.471 HD11 HD21 ' D' ' 344' ' ' LEU . 3.7 mp -70.62 -40.78 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.507 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.488 ' OD1' HD12 ' B' ' 332' ' ' ILE . 13.4 t30 -62.98 -41.35 99.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.19 -41.23 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.81 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.452 HD13 ' HB3' ' B' ' 337' ' ' ARG . 23.8 mt -71.35 -33.59 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.8 -30.64 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -70.5 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -63.6 -32.68 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -33.4 75.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.11 -30.48 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.1 m-85 -126.81 150.94 48.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.53 149.84 17.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -140.26 133.44 29.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.04 82.34 0.44 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.586 HG22 ' H ' ' B' ' 334' ' ' GLY . 25.0 mm -83.09 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -105.16 30.91 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.586 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -136.58 133.43 6.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.78 52.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.05 -56.85 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HB3' HD13 ' A' ' 348' ' ' LEU . 16.1 ptp180 -58.38 -42.51 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.546 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 24.9 t80 -65.18 -35.56 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.671 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -62.44 -37.2 84.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.409 ' O ' HD13 ' B' ' 344' ' ' LEU . 0.0 OUTLIER -65.43 -54.18 32.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.482 179.645 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.72 -28.82 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -47.36 61.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.73 -40.34 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.835 ' O ' HD12 ' B' ' 348' ' ' LEU . 5.8 mp -63.35 -40.84 98.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.76 -45.86 90.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.62 -30.82 70.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.55 -46.44 85.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.018 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.835 HD12 ' O ' ' B' ' 344' ' ' LEU . 3.3 mp -60.82 -43.56 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.747 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.0 -31.03 69.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.71 -31.86 59.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -72.29 -31.36 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.83 -31.45 70.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.91 -31.23 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -144.61 125.98 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.21 143.77 15.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 1.106 HD23 HD11 ' C' ' 332' ' ' ILE . 12.9 tp -133.75 132.88 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -93.84 82.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 1.106 HD11 HD23 ' C' ' 330' ' ' LEU . 24.4 mm -76.07 124.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.59 118.95 0.94 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -60.01 -39.87 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.78 -47.54 45.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -59.78 -50.92 71.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.1 t80 -60.96 -33.07 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.16 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.543 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.483 ' HG2' ' HE3' ' A' ' 340' ' ' MET . 2.3 mpp? -65.28 -54.17 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.17 -27.73 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -73.94 -46.56 43.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.32 -31.63 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.624 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.715 ' O ' HD12 ' C' ' 348' ' ' LEU . 41.7 mt -73.24 -30.83 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.547 ' ND2' ' CE1' ' D' ' 341' ' ' PHE . 8.8 m-80 -71.37 -41.77 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.554 ' O ' HD12 ' C' ' 350' ' ' LEU . 12.5 tt0 -70.27 -39.35 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.41 -30.94 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.715 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.7 OUTLIER -73.43 -30.3 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.867 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.28 -29.71 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.554 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.9 mp -68.57 -47.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' C' ' 348' ' ' LEU . 5.0 ptpp? -61.46 -29.95 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.87 -40.28 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.03 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.936 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 98.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 27.4 m-85 -143.54 137.06 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.16 114.59 4.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.946 HD22 HD11 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -98.42 134.48 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.946 HD11 HD22 ' D' ' 330' ' ' LEU . 3.8 mp -122.8 116.08 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -98.98 31.27 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.511 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -128.05 121.34 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.71 -43.81 97.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -46.94 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.57 ' CG ' HD13 ' C' ' 348' ' ' LEU . 6.1 ttm180 -59.85 -52.44 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.773 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 16.9 t80 -60.68 -31.76 71.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.09 -37.58 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtm -66.26 -56.87 9.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.374 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.547 ' CE1' ' ND2' ' C' ' 345' ' ' ASN . 4.1 m-85 -61.45 -26.12 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -73.48 -42.33 62.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -73.16 -31.4 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.798 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.6 OUTLIER -73.79 -31.32 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 179.764 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -71.86 -42.1 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -72.22 -31.54 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.17 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -74.66 -34.05 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.76 -30.68 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.2 -38.42 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -62.39 -31.21 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.83 -35.0 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.19 62.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.335 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m -63.54 152.95 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 13.1 m-85 -130.22 111.89 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.55 149.05 29.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.7 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.4 OUTLIER -120.92 117.49 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.55 86.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.7 ' CD1' HD22 ' A' ' 330' ' ' LEU . 3.5 mp -96.93 141.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.5 33.05 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.2 118.8 1.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -60.0 -37.65 80.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.94 -43.52 71.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.678 ' HG3' HD22 ' B' ' 348' ' ' LEU . 2.7 mmt-85 -60.02 -53.29 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CE1' HD12 ' B' ' 330' ' ' LEU . 16.1 t80 -57.93 -33.78 69.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.61 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.51 -41.9 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.386 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.602 ' O ' HD13 ' A' ' 344' ' ' LEU . 9.2 mtm -65.24 -58.76 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.931 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' B' ' 344' ' ' LEU . 13.4 m-85 -60.47 -25.51 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.098 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 19.9 ttt180 -78.18 -43.87 27.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.496 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -30.37 69.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.421 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 348' ' ' LEU . 7.0 mp -70.4 -43.65 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -66.2 -40.45 90.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -74.33 -34.59 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.518 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -77.08 -30.53 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -76.2 -29.8 57.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.73 -29.91 65.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.66 -35.23 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -36.18 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -40.18 89.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.51 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -76.76 -54.64 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.72 175.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.488 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 58.1 m -166.41 102.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.8 151.64 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -111.76 152.82 17.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.731 HD22 ' CG1' ' B' ' 332' ' ' ILE . 0.5 OUTLIER -133.85 134.81 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 87.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.731 ' CG1' HD22 ' B' ' 330' ' ' LEU . 24.0 mt -110.84 127.44 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -99.29 32.35 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.54 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -114.8 110.34 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.488 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -73.66 -50.64 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.71 ' HD2' HD13 ' A' ' 348' ' ' LEU . 1.5 tpp180 -59.12 -50.99 71.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 342' ' ' ARG . 92.0 t80 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.465 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.65 -34.87 78.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -67.02 -58.2 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.264 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.433 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.9 m-85 -60.23 -26.45 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 2.5 mmt180 -69.74 -37.18 76.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -32.57 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.561 HD21 HD21 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -69.17 -40.85 77.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.634 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.488 ' OD1' HG23 ' A' ' 332' ' ' ILE . 12.8 t30 -63.65 -42.41 98.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.83 -45.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.559 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.28 -29.37 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.736 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.678 HD22 ' HG3' ' A' ' 337' ' ' ARG . 10.8 tp -68.16 -38.96 82.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.747 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.98 -29.93 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.22 -34.25 74.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -63.16 -31.59 72.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -33.53 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.48 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -78.08 -41.59 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.6 82.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.481 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.798 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 14.4 m 60.8 111.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -137.27 121.91 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.94 6.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.56 HD23 HD11 ' C' ' 332' ' ' ILE . 15.1 tp -100.42 113.14 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.46 85.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.56 HD11 HD23 ' C' ' 330' ' ' LEU . 3.5 mp -93.02 139.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 31.05 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.518 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -126.63 120.45 3.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -64.34 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -55.65 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -58.34 -47.16 84.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 28.6 t80 -63.2 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -38.4 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.406 ' HG2' HD12 ' C' ' 344' ' ' LEU . 5.7 ttm -65.41 -56.07 14.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.307 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.4 m-85 -59.42 -28.05 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -68.5 -43.39 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.32 -29.77 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.57 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.797 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -75.02 -31.85 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.71 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.542 HD22 HG12 ' D' ' 332' ' ' ILE . 2.5 t30 -72.59 -40.31 66.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.04 -36.44 72.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.797 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -73.63 -33.34 64.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.6 -31.17 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.67 -38.39 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -62.44 -39.89 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 -32.98 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.34 67.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.87 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.62 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.47 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.779 0.323 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 62.2 p -96.39 152.95 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 4.9 m-85 -130.92 125.74 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.39 118.02 4.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.12 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.03 123.64 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.542 HG12 HD22 ' C' ' 345' ' ' ASN . 23.4 mt -132.8 144.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 36.42 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.02 129.32 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -31.32 59.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.24 -49.07 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -59.16 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 47.3 t80 -60.58 -32.72 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.604 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.46 -38.92 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.57 ' HE1' HD22 ' C' ' 344' ' ' LEU . 10.4 ttp -64.55 -55.67 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' D' ' 332' ' ' ILE . 5.1 m-85 -59.15 -25.17 63.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.021 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -45.52 57.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.649 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.586 ' OE1' HD21 ' A' ' 348' ' ' LEU . 2.3 tm-20 -71.83 -31.09 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.649 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' D' ' 348' ' ' LEU . 91.4 mt -75.07 -31.25 61.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.754 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.03 -39.92 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -71.15 -31.68 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.7 mm? -70.51 -36.87 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -67.15 -30.85 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.16 -38.52 85.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.518 ' CE ' ' HB2' ' A' ' 347' ' ' ALA . 26.3 mttm -60.16 -34.49 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.82 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.61 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.1 -31.78 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.4 11.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.504 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m 60.63 110.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 10.8 m-85 -136.28 135.67 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.63 5.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.0 OUTLIER -107.19 133.53 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.486 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -110.29 85.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.528 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.781 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.9 mm -75.23 152.98 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -129.71 75.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.05 133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -60.89 -45.92 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.85 -40.44 72.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.825 ' HD2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -62.57 -55.7 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -61.13 -32.12 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.302 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.59 -36.11 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mtm -66.71 -60.07 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.49 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.83 -24.09 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -76.83 -40.99 45.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.26 -32.05 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.616 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.871 ' CD1' HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -73.96 -32.12 63.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.664 179.793 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -71.35 -40.09 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.23 -39.53 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.89 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.1 mt -73.18 -31.63 64.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.788 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.72 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.67 -35.34 80.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -60.38 -33.14 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -34.27 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.56 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -66.91 -40.38 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.02 -169.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.536 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.83 0.348 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 12.1 t -162.57 152.11 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -143.34 114.03 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -73.19 145.83 36.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.617 HD22 HD13 ' B' ' 332' ' ' ILE . 1.4 tt -131.6 138.27 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 331' ' ' GLY . . . . . 0.606 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -85.34 82.63 1.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.617 HD13 HD22 ' B' ' 330' ' ' LEU . 26.0 mm -89.28 153.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -147.35 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.63 129.12 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -60.37 -65.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.25 -37.05 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.864 ' HD3' HD13 ' A' ' 348' ' ' LEU . 15.1 ttp180 -64.2 -57.41 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.448 ' HB2' HG21 ' B' ' 332' ' ' ILE . 15.2 t80 -64.14 -31.31 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.0 -32.32 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.59 ' O ' HD23 ' B' ' 344' ' ' LEU . 7.1 ttm -68.75 -57.07 6.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.331 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 3.3 m-85 -60.88 -25.3 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -76.38 -45.76 30.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.539 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -68.27 -32.19 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.289 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.774 ' O ' HD12 ' B' ' 348' ' ' LEU . 4.1 mm? -71.66 -44.94 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -62.89 -34.02 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.814 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.24 -44.4 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.649 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' C' ' 351' ' ' LYS . . . -70.63 -31.15 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.825 HD13 ' HD2' ' A' ' 337' ' ' ARG . 0.4 OUTLIER -73.66 -35.33 65.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.02 -23.68 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.424 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' B' ' 350' ' ' LEU . 11.2 tp -77.81 -33.42 52.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.548 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 0.3 OUTLIER -73.93 -31.02 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.1 -31.51 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -93.23 -35.9 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 64.3 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.486 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.27 109.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.9 m-85 -135.64 151.02 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -97.89 138.54 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.51 HD23 ' N ' ' C' ' 331' ' ' GLY . 1.4 tt -136.85 135.29 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 331' ' ' GLY . . . . . 0.51 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -100.23 82.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.56 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.7 mp -71.26 85.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -72.53 75.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.21 140.74 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.35 -56.04 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.04 -36.39 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.536 ' HE ' HD13 ' D' ' 348' ' ' LEU . 50.2 mmt-85 -60.85 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' D' ' 330' ' ' LEU . 59.1 t80 -54.62 -37.11 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.799 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.12 -43.11 91.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.343 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.9 mmm -66.07 -58.52 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.908 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 6.0 m-85 -61.33 -19.94 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.342 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -79.36 -39.88 31.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.585 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.95 -31.99 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.753 ' O ' HD12 ' C' ' 348' ' ' LEU . 13.5 mt -74.43 -36.01 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.427 ' OD1' HG23 ' D' ' 332' ' ' ILE . 13.2 m-20 -69.97 -34.84 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.47 -42.58 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.548 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -71.54 -30.95 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.789 HD13 ' CG ' ' D' ' 337' ' ' ARG . 0.6 OUTLIER -74.24 -29.84 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.17 -31.36 68.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.25 -39.69 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.459 ' HD2' ' HB2' ' B' ' 347' ' ' ALA . 26.7 mtpt -65.14 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.76 -32.51 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.71 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -90.83 -43.46 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.62 -176.39 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 87.5 p -173.14 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -97.68 126.6 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -74.68 135.78 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.607 HD23 ' N ' ' D' ' 331' ' ' GLY . 1.9 tt -140.77 128.46 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 331' ' ' GLY . . . . . 0.607 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -96.32 100.15 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.555 HG13 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -98.64 137.96 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.49 77.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.53 125.72 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -65.04 -43.99 90.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.01 -43.49 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.789 ' CG ' HD13 ' C' ' 348' ' ' LEU . 6.4 ttm180 -60.59 -53.03 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.7 t80 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.598 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.08 -35.91 80.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.412 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mtm -66.0 -57.6 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.3 m-85 -60.87 -28.2 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -75.87 -44.35 41.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.604 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.41 -30.76 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.871 HD21 ' CD1' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.64 -32.56 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.665 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.79 -41.86 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.2 -30.75 58.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.89 -28.08 36.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.997 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.737 HD23 ' HD3' ' D' ' 351' ' ' LYS . 15.9 mt -80.63 -29.87 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.12 -27.07 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.36 -35.23 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.737 ' HD3' HD23 ' D' ' 348' ' ' LEU . 12.9 ptmm? -72.57 -31.5 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.7 -31.21 57.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.14 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.15 -29.67 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.4 30.98 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.484 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.438 ' HB3' ' CE1' ' A' ' 328' ' ' PHE . 5.4 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.87 0.366 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.9 p -69.66 110.34 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.438 ' CE1' ' HB3' ' A' ' 326' ' ' GLU . 26.9 m-85 -100.98 118.96 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.86 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' B' ' 342' ' ' ARG . 1.2 tt -150.57 113.91 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.18 94.95 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.674 HG23 ' OD1' ' B' ' 345' ' ' ASN . 24.1 mt -110.01 127.28 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -107.66 30.8 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.596 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -122.12 110.78 1.67 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -33.3 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.999 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -73.98 -62.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.635 ' HB3' HD13 ' B' ' 348' ' ' LEU . 12.0 ptp180 -57.22 -40.01 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -66.66 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.63 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -53.07 52.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.664 ' HB2' HD11 ' B' ' 330' ' ' LEU . 3.7 m-85 -59.24 -30.23 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -70.64 -47.23 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.25 -30.69 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.796 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.89 -36.15 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 179.676 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.12 -43.04 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 350' ' ' LEU . 15.5 tt0 -70.42 -35.07 73.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.51 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.761 HD13 ' HD3' ' B' ' 337' ' ' ARG . 1.8 mt -72.04 -28.92 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.16 -28.15 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.6 OUTLIER -72.41 -50.03 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -28.78 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.29 -33.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.94 50.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -30.95 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -86.69 103.03 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.535 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 73.5 p -160.19 145.1 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -153.61 137.21 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.86 6.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.774 HD22 ' CD1' ' B' ' 332' ' ' ILE . 0.8 OUTLIER -107.58 136.96 46.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 331' ' ' GLY . . . . . 0.566 ' H ' HD23 ' B' ' 330' ' ' LEU . . . -132.87 90.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.774 ' CD1' HD22 ' B' ' 330' ' ' LEU . 3.5 mp -95.07 146.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.1 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -110.89 77.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.32 147.67 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.24 -52.97 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.17 -42.72 93.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.761 ' HD3' HD13 ' A' ' 348' ' ' LEU . 8.3 ttm-85 -61.49 -54.15 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.2 t80 -60.3 -30.82 69.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.88 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.15 -56.15 12.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.351 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 2.8 m-85 -62.61 -28.0 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.492 ' HA ' HD11 ' A' ' 330' ' ' LEU . 32.2 ttt-85 -74.48 -42.04 59.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.33 -32.18 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.757 HD11 HD21 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -71.05 -32.79 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.674 ' OD1' HG23 ' A' ' 332' ' ' ILE . 7.2 t30 -69.63 -46.0 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.552 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -76.52 -30.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.711 HD23 ' HD3' ' B' ' 351' ' ' LYS . 14.1 mt -74.53 -31.1 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.99 -30.07 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.27 -40.58 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.711 ' HD3' HD23 ' B' ' 348' ' ' LEU . 12.7 ptmm? -68.54 -30.08 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.817 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.86 -31.26 70.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.01 -31.19 56.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -76.97 -32.49 57.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 128.05 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.525 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.748 0.309 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.67 114.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.09 151.14 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.45 118.48 4.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.8 OUTLIER -103.16 125.08 49.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.86 91.63 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.795 ' CD1' HD22 ' C' ' 330' ' ' LEU . 26.7 mm -91.9 149.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -142.86 34.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.514 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -153.89 141.95 8.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -71.9 -55.89 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.21 -44.23 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -59.88 -51.85 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.781 ' HB2' HG21 ' C' ' 332' ' ' ILE . 19.5 t80 -59.34 -33.4 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.81 -39.96 93.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.71 -55.48 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.418 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.5 -27.13 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -72.25 -44.7 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -31.39 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.437 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.757 HD21 HD11 ' B' ' 344' ' ' LEU . 1.4 mp -72.39 -35.46 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.626 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -41.5 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -73.9 -34.43 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -79.98 -28.51 39.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' D' ' 337' ' ' ARG . 13.5 mt -84.34 -19.29 33.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -85.25 -30.22 23.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.724 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.2 pp -76.87 -26.82 54.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.937 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.724 ' N ' HD12 ' C' ' 350' ' ' LEU . 16.5 ptpt -74.13 -31.02 62.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.374 . . . . 0.0 110.797 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -66.76 -36.02 81.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.38 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -69.98 -44.91 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.41 5.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.503 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.763 0.315 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 27.8 t -127.11 128.6 46.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -112.48 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.29 136.76 14.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.471 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 15.3 tp -139.27 110.95 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.27 92.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.1 mm -75.8 126.71 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -100.48 36.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.59 136.33 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.36 -37.3 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.758 ' HG2' HD13 ' C' ' 348' ' ' LEU . 3.3 mtm180 -63.48 -56.46 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' D' ' 338' ' ' PHE . 27.6 t80 -60.27 -20.14 57.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.99 -41.17 62.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.278 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' D' ' 341' ' ' PHE . 2.1 ptm -69.98 -39.84 75.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 111.007 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.57 ' HB2' HD11 ' C' ' 330' ' ' LEU . 2.7 m-85 -72.31 -28.93 63.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -74.51 -40.34 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.439 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.796 HD21 ' CG ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.28 -32.04 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -42.96 62.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.738 ' O ' HD23 ' D' ' 350' ' ' LEU . 25.2 tt0 -73.04 -31.53 64.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.7 -30.83 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.989 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -74.81 -33.68 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.708 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.47 -29.21 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.738 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.3 mm? -69.99 -44.4 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.54 ' HE3' HD13 ' D' ' 348' ' ' LEU . 14.7 ptpt -65.67 -29.18 69.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -36.59 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.09 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.597 ' OE1' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -76.37 -31.34 57.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.32 -44.43 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.459 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.82 139.28 29.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.4 m-85 -113.43 125.99 54.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.7 116.9 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 1.011 HD23 HD11 ' A' ' 332' ' ' ILE . 18.8 tp -98.35 128.15 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.59 82.57 0.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 1.011 HD11 HD23 ' A' ' 330' ' ' LEU . 3.7 mp -85.83 133.03 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -102.21 76.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.18 142.5 3.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -77.68 -33.29 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.24 -52.94 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.648 ' CG ' HD13 ' B' ' 348' ' ' LEU . 2.8 ttm180 -58.55 -49.7 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.589 ' CD2' HD12 ' B' ' 330' ' ' LEU . 22.0 t80 -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.78 -38.5 90.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -65.6 -56.27 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CE1' ' ND2' ' B' ' 345' ' ' ASN . 3.9 m-85 -61.34 -28.02 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -72.31 -42.28 65.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.567 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.0 -30.23 62.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.664 HD21 HD21 ' D' ' 344' ' ' LEU . 1.1 mp -74.81 -33.15 62.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -41.78 63.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.759 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.1 -31.61 69.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.37 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.695 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.7 OUTLIER -69.59 -30.14 67.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.735 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.3 -27.67 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -39.26 41.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -28.55 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.51 -30.95 63.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.55 75.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -33.91 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.81 102.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.504 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.815 0.34 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m 60.84 111.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -136.17 138.74 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.84 128.55 9.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.589 HD12 ' CD2' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -109.31 141.29 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.66 103.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.591 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.8 mp -114.51 138.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.146 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -126.82 31.28 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.591 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -140.17 134.18 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.71 -51.84 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.76 -37.56 84.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.695 ' HG3' HD13 ' A' ' 348' ' ' LEU . 10.0 ttm180 -63.06 -55.63 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 33.8 t80 -60.19 -31.97 70.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.89 -36.09 82.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.6 ttm -66.5 -57.09 8.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.325 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.2 m-85 -59.69 -25.78 65.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.89 -44.34 63.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.597 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -71.79 -31.95 67.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.569 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.62 ' O ' HD12 ' B' ' 348' ' ' LEU . 65.6 mt -73.03 -31.89 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.642 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.554 ' ND2' ' CE1' ' A' ' 341' ' ' PHE . 1.7 m-80 -70.44 -41.97 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.78 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -32.73 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.438 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -78.29 -31.72 49.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.648 HD13 ' CG ' ' A' ' 337' ' ' ARG . 3.0 mt -77.77 -28.92 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -76.2 -30.54 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.93 -37.04 64.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -70.49 -31.54 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -31.57 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.55 -35.14 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -91.43 -31.57 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.64 157.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.508 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 72.8 m 60.27 104.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 25.2 m-85 -111.5 135.99 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.03 83.21 1.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.509 HD22 HD11 ' C' ' 332' ' ' ILE . 0.5 OUTLIER -74.44 118.01 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 115.65 5.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.509 HD11 HD22 ' C' ' 330' ' ' LEU . 24.9 mm -106.65 136.9 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -106.21 36.13 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.43 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -157.48 135.21 4.27 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.39 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.46 -53.72 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.712 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 38.5 t80 -62.54 -31.26 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.596 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -38.28 90.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.14 -56.66 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.4 m-85 -60.9 -25.7 66.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.813 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.673 ' HA ' HD11 ' D' ' 330' ' ' LEU . 9.9 tpt180 -71.5 -42.7 67.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.87 -31.61 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.801 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.9 OUTLIER -75.17 -31.58 61.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.706 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.82 -39.21 69.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.95 -36.23 69.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.453 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -73.48 -32.12 64.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.801 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -73.27 -32.39 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -30.74 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.58 84.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.0 OUTLIER -60.0 -38.8 83.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -35.19 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.15 83.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -82.95 -35.36 26.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.75 176.01 3.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.862 0.363 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.56 152.84 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 24.6 m-85 -146.09 144.12 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.43 141.8 15.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' C' ' 342' ' ' ARG . 0.5 OUTLIER -134.36 116.52 15.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.07 100.68 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.545 ' CD1' HD22 ' D' ' 330' ' ' LEU . 30.4 mm -91.31 104.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 74.81 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.64 141.23 3.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -75.24 -36.99 61.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -48.81 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.436 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 8.9 ttm180 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.493 ' CA ' HG21 ' D' ' 332' ' ' ILE . 24.4 t80 -61.0 -34.49 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.42 -37.06 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.458 ' CE ' HD23 ' C' ' 344' ' ' LEU . 14.5 ttp -65.27 -57.91 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.368 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.4 m-85 -59.36 -27.34 65.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -70.71 -42.27 70.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -74.9 -30.67 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.718 ' O ' HD12 ' D' ' 348' ' ' LEU . 21.1 mt -75.68 -30.57 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.693 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.88 -40.5 63.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.704 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -34.65 65.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.737 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.84 -30.47 58.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.987 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.718 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -75.78 -30.98 59.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.06 -29.18 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.49 -44.07 65.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -64.21 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.36 -31.47 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.25 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -66.3 -40.12 89.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.57 -176.71 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.517 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.843 0.354 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.3 131.21 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.7 m-85 -105.9 144.92 31.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.41 122.77 5.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.564 HD22 HG13 ' A' ' 332' ' ' ILE . 0.9 OUTLIER -131.45 110.97 11.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.14 100.12 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.564 HG13 HD22 ' A' ' 330' ' ' LEU . 3.8 mp -98.55 112.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -85.82 77.05 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.34 126.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.41 -46.68 75.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.56 -45.7 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -51.88 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.627 ' CE2' HD12 ' B' ' 330' ' ' LEU . 17.4 t80 -59.98 -32.88 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.0 -38.83 90.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.416 ' HE3' ' HE1' ' A' ' 341' ' ' PHE . 50.7 ttp -65.56 -56.96 9.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.383 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -62.25 -26.75 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -77.08 -42.24 38.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.583 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -72.67 -31.63 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.919 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.21 -35.16 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.517 179.72 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.84 -43.24 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.71 -29.74 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -78.29 -29.31 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.655 HD13 ' CG ' ' B' ' 337' ' ' ARG . 7.4 mt -76.52 -34.63 58.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.4 -29.46 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -70.72 -36.16 73.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -66.97 -31.16 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.44 -31.57 72.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.37 93.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.4 ' OE1' HD21 ' D' ' 350' ' ' LEU . 4.1 pt20 -69.92 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -127.11 95.73 4.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.461 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.1 t 60.11 97.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 41.8 m-85 -108.44 137.86 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.96 127.66 8.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.771 HD22 HD11 ' B' ' 332' ' ' ILE . 1.0 OUTLIER -127.55 105.71 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.66 106.04 3.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.771 HD11 HD22 ' B' ' 330' ' ' LEU . 3.8 mp -102.12 132.8 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.68 31.06 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.546 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -135.3 135.36 7.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -70.28 -49.92 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.95 -47.5 77.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.655 ' CG ' HD13 ' A' ' 348' ' ' LEU . 12.1 mtm180 -59.65 -51.89 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.769 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 20.3 t80 -60.32 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.45 -39.5 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.34 -56.51 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.323 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -62.18 -27.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -76.31 -43.07 42.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.587 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.852 HD21 HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -73.45 -31.44 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.6 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.47 -43.39 66.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.71 -31.96 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.561 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -73.05 -31.59 64.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.991 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.835 HD13 ' HD3' ' B' ' 351' ' ' LYS . 3.4 mm? -71.86 -40.09 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.49 -43.09 57.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.835 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.9 OUTLIER -72.04 -30.12 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.99 -31.08 56.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.36 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -72.04 -33.06 67.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.61 149.13 23.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.504 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.839 0.352 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.7 m 60.71 110.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -117.35 141.06 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.65 114.4 4.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.732 HD23 HD11 ' C' ' 332' ' ' ILE . 14.0 tp -106.78 124.76 50.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.93 91.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.732 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -95.0 129.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 34.31 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.501 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -135.33 140.53 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -77.8 -49.36 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.26 -47.21 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -59.44 -50.29 74.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CE2' HD12 ' D' ' 330' ' ' LEU . 17.1 t80 -60.41 -33.07 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.625 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -55.0 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.88 -27.91 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.71 -44.69 66.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.598 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.34 -30.51 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.852 HD21 HD21 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.689 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -71.67 -39.47 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.11 -38.72 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.23 -33.32 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.776 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.4 OUTLIER -73.66 -29.5 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -70.15 -30.84 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.34 -38.56 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.561 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.9 OUTLIER -60.76 -33.2 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -34.48 75.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.29 -31.71 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.14 -33.54 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.78 -169.99 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 3.6 t 60.73 110.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 24.9 m-85 -138.63 150.74 46.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -102.41 137.07 13.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.563 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.608 HD22 HD11 ' D' ' 332' ' ' ILE . 0.8 OUTLIER -132.64 131.8 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.5 100.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.608 HD11 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -105.98 117.58 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -93.11 74.93 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 142.53 5.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -77.38 -46.77 21.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.86 -40.48 72.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.628 ' CG ' HD13 ' C' ' 348' ' ' LEU . 7.2 ttm180 -61.3 -53.89 51.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.72 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.636 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 27.8 t80 -60.13 -36.54 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.33 -36.44 77.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttm -65.58 -56.76 10.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.61 -26.06 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -45.13 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.601 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.63 -30.7 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.919 HD21 HD11 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -72.62 -35.47 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' C' ' 332' ' ' ILE . 18.1 t-20 -68.6 -42.97 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.738 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.429 ' O ' HD12 ' D' ' 350' ' ' LEU . 10.5 mt-10 -69.22 -33.76 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.29 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.788 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.8 mm? -68.53 -37.41 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.736 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.7 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.429 HD12 ' O ' ' D' ' 346' ' ' GLU . 1.8 mp -63.1 -42.98 99.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.5 OUTLIER -58.97 -30.61 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -32.16 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.28 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.21 -31.89 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.84 92.29 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.48 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t -99.07 150.56 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.444 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 29.9 m-85 -151.47 127.37 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.07 121.7 6.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.1 129.04 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.59 99.78 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.572 HG22 ' H ' ' A' ' 334' ' ' GLY . 3.9 mp -101.29 137.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -109.81 32.94 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.572 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.13 146.41 17.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -78.1 -38.4 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.12 -48.11 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.653 ' HG3' HD13 ' B' ' 348' ' ' LEU . 7.3 ttm180 -59.66 -51.83 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.725 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 46.1 t80 -60.89 -32.34 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.27 -38.09 87.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.451 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 ttp -65.64 -57.67 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -61.12 -27.06 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -73.8 -43.17 59.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.487 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.08 -29.87 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.921 HD21 HD11 ' D' ' 344' ' ' LEU . 2.3 mt -75.15 -30.92 60.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.636 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.02 -43.22 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.01 -30.53 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -76.81 -31.42 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 344' ' ' LEU . 1.8 mm? -74.61 -34.05 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.731 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.92 -29.18 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -47.15 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -27.44 63.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -78.78 -30.22 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.68 -31.06 61.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.35 -32.14 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.36 -39.93 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.326 -1.263 . . . . 0.0 112.487 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 29.2 t 61.07 112.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 8.2 m-85 -127.06 130.75 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -109.91 138.17 14.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 332' ' ' ILE . 14.1 tp -128.7 140.61 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.18 91.06 0.65 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 332' ' ' ILE . 3.9 mp -97.16 122.11 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -94.84 48.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.93 136.13 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -75.35 -51.55 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.91 -45.05 79.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -61.48 -55.51 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 32.2 t80 -60.96 -26.72 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.469 ' HA ' ' HG2' ' B' ' 342' ' ' ARG . 22.2 mt-10 -67.8 -35.32 78.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -70.95 -44.75 65.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' B' ' 338' ' ' PHE . 2.5 m-85 -64.13 -34.92 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.469 ' HG2' ' HA ' ' B' ' 339' ' ' GLU . 2.8 ptp180 -73.26 -34.41 65.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.781 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.58 -33.75 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.115 HD11 HD22 ' C' ' 344' ' ' LEU . 5.3 tp -75.15 -30.95 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.695 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -74.63 -38.31 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.696 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.426 ' O ' HD12 ' B' ' 350' ' ' LEU . 26.7 tt0 -71.66 -36.1 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.23 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.661 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.6 OUTLIER -70.93 -31.24 67.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.53 -30.38 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.542 HD23 HE22 ' C' ' 354' ' ' GLN . 1.5 mp -62.9 -38.14 89.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.666 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 26.3 mttt -59.33 -32.23 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.12 -46.19 74.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.39 72.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.01 -31.46 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -126.45 88.33 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.824 0.345 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 12.6 t 60.71 111.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.32 146.78 48.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.33 112.58 3.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.722 HD22 HG13 ' C' ' 332' ' ' ILE . 0.9 OUTLIER -99.52 129.64 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 331' ' ' GLY . . . . . 0.467 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -97.76 82.54 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.722 HG13 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -91.23 124.02 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -103.18 30.9 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.585 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -127.73 139.69 11.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -77.07 -44.4 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.38 -46.63 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -58.47 -50.22 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.539 ' CE1' HD12 ' D' ' 330' ' ' LEU . 20.4 t80 -59.99 -39.86 87.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.536 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.67 -36.36 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.62 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -56.65 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.53 ' CE1' ' ND2' ' D' ' 345' ' ' ASN . 3.7 m-85 -60.09 -25.96 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -45.56 47.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.584 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -71.13 -32.64 69.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 1.115 HD22 HD11 ' B' ' 344' ' ' LEU . 49.1 mt -72.82 -30.08 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -71.27 -43.15 67.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.719 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.78 -32.53 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -75.96 -32.41 59.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.786 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -73.35 -31.8 64.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.717 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.1 -34.33 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -66.72 -32.23 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.3 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.99 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.542 HE22 HD23 ' B' ' 350' ' ' LEU . 21.3 mt-30 -80.89 -37.76 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.98 -74.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.554 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.84 0.352 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 66.3 p -95.08 151.29 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -142.34 118.61 10.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.35 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.853 HD22 HD11 ' D' ' 332' ' ' ILE . 0.4 OUTLIER -109.13 138.45 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.39 108.92 3.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.853 HD11 HD22 ' D' ' 330' ' ' LEU . 25.9 mm -106.69 125.18 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 34.07 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.485 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -145.93 140.89 9.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -77.96 -37.27 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -47.29 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 ttm105 -60.39 -50.83 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.771 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -61.31 -32.54 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.33 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -55.5 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.394 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.2 -28.13 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -70.94 -44.13 66.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -29.85 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.498 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.921 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -74.54 -31.32 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.698 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.53 ' ND2' ' CE1' ' C' ' 341' ' ' PHE . 12.9 m-80 -72.7 -41.88 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -35.1 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.96 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.843 HD13 ' HD3' ' D' ' 351' ' ' LYS . 3.2 mm? -72.4 -37.26 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.15 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.97 -48.21 54.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.843 ' HD3' HD13 ' D' ' 348' ' ' LEU . 8.6 ptmm? -67.83 -30.07 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.59 -31.06 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.76 70.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.63 -48.31 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.99 155.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.444 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 p -90.87 142.61 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.1 m-85 -135.97 146.82 47.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.65 135.02 13.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.737 HD23 HD11 ' A' ' 332' ' ' ILE . 19.6 tp -129.49 142.47 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -122.08 83.54 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.737 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -88.2 132.08 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -94.68 93.8 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.17 139.45 2.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -77.55 -38.34 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.89 -48.7 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttm180 -59.83 -52.03 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 16.4 t80 -62.7 -31.62 72.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.27 -35.67 81.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -66.87 -54.95 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.48 ' HE1' HG21 ' A' ' 332' ' ' ILE . 4.0 m-85 -60.35 -28.51 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.04 -45.6 56.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.668 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.57 -31.2 69.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.549 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.783 HD22 HD11 ' D' ' 344' ' ' LEU . 27.4 mt -70.56 -33.82 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -68.79 -45.61 70.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 350' ' ' LEU . 6.0 mt-10 -69.07 -37.46 78.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.491 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -73.04 -31.28 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -72.3 -30.95 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -67.57 -30.73 70.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 346' ' ' GLU . 2.8 mp -67.79 -49.02 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.631 ' HE2' ' HB2' ' D' ' 347' ' ' ALA . 17.5 ptpt -60.88 -31.99 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.89 -42.98 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.04 67.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -76.83 -31.46 56.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.29 82.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 5.9 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.2 t -81.26 141.11 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -135.02 141.61 46.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.63 141.42 17.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.656 HD23 HD11 ' B' ' 332' ' ' ILE . 33.9 tp -142.67 142.47 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.14 93.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.656 HD11 HD23 ' B' ' 330' ' ' LEU . 25.3 mm -89.15 112.58 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -82.63 77.08 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.07 135.84 1.89 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -73.64 -37.2 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.37 -48.97 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.637 ' CD ' HD13 ' A' ' 348' ' ' LEU . 9.3 mtm180 -58.97 -50.71 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.437 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 17.1 t80 -60.52 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.69 -38.11 86.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.38 -57.8 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.404 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.4 m-85 -60.63 -28.04 68.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -76.14 -45.66 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.9 -31.12 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.663 HD21 ' CG ' ' C' ' 344' ' ' LEU . 4.3 mt -70.96 -36.09 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.629 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.434 ' OD1' HG23 ' A' ' 332' ' ' ILE . 52.2 t30 -66.75 -43.41 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.16 -31.6 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.89 -31.46 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.89 -31.54 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -71.22 -30.53 66.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -38.25 83.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -62.93 -39.88 95.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.69 -31.55 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.58 -31.95 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -83.8 -34.55 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.43 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.854 0.359 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.9 p 59.24 108.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 69.2 m-85 -128.28 152.63 47.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.92 140.49 11.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.552 HD22 ' CE2' ' D' ' 338' ' ' PHE . 1.3 pt? -135.49 152.79 51.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.4 90.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.497 HG23 ' HD2' ' C' ' 337' ' ' ARG . 2.7 mp -81.29 128.98 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -98.38 35.15 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.491 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.86 126.74 3.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -64.05 -47.42 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.55 -39.66 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.642 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -61.85 -54.17 45.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.767 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' C' ' 332' ' ' ILE . 14.1 t80 -59.55 -32.78 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.676 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.16 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -66.81 -55.4 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.425 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.468 ' HE1' HD23 ' D' ' 344' ' ' LEU . 2.7 m-85 -62.72 -27.33 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -76.63 -44.13 35.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.45 -31.86 70.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.438 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.663 ' CG ' HD21 ' B' ' 344' ' ' LEU . 4.6 mp -71.93 -43.02 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.392 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.13 -35.54 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -66.86 -51.63 53.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.626 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.712 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.85 HD22 ' HG2' ' D' ' 337' ' ' ARG . 6.4 tp -66.33 -41.73 89.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.768 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.0 -31.42 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.59 -41.69 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -67.45 -30.69 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.99 -31.64 70.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -31.39 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -89.96 -50.12 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.47 137.47 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 74.4 m -100.05 117.9 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 19.3 m-85 -108.56 150.9 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.92 116.65 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' D' ' 332' ' ' ILE . 0.8 OUTLIER -100.28 134.5 43.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 331' ' ' GLY . . . . . 0.526 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -109.82 85.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.693 ' CD1' HD22 ' D' ' 330' ' ' LEU . 22.0 mm -82.85 151.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 42.31 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -161.58 149.32 17.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -78.55 -56.14 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -46.04 90.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.85 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.9 tpt180 -60.36 -53.25 59.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' C' ' 330' ' ' LEU . 32.9 t80 -62.71 -32.66 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.402 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.94 -36.14 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtm -65.6 -56.34 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.367 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.469 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 6.0 m-85 -58.55 -26.36 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -46.16 54.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.643 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.67 -30.26 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.783 HD11 HD22 ' A' ' 344' ' ' LEU . 1.1 tp -71.76 -32.79 68.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.746 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.49 -44.39 67.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.13 -34.96 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . . . -75.74 -30.96 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' C' ' 337' ' ' ARG . 2.9 mt -74.87 -29.93 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.15 -29.61 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 350' ' ' LEU . 12.0 mt -67.47 -39.23 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.563 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 2.7 mtmp? -60.67 -41.35 94.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.5 -31.5 69.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.51 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -76.48 -31.71 57.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -138.47 102.66 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.503 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.854 0.359 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 73.1 m 61.0 112.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.9 m-85 -126.66 120.97 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -76.51 132.84 12.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.432 HD22 HG13 ' A' ' 332' ' ' ILE . 1.1 tt -128.14 124.31 36.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.63 83.01 1.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.7 mp -76.92 150.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -129.8 77.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.89 135.14 1.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -69.84 -42.39 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -72.11 -43.95 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -61.0 -53.41 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 18.7 t80 -60.77 -31.39 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.2 -37.16 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.401 ' HE3' ' CE1' ' A' ' 341' ' ' PHE . 17.6 ttp -66.64 -55.46 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.15 -26.94 68.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -72.94 -41.26 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.595 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.7 -31.28 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.791 ' O ' HD23 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.702 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -73.27 -37.89 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.12 -31.7 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.449 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -75.47 -31.54 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -74.79 -36.04 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -71.73 -29.94 65.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -33.7 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -65.56 -38.78 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.18 -33.32 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.15 63.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -31.08 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.37 88.76 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.528 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.2 t -160.75 130.07 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -139.29 131.26 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -78.07 142.36 26.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 338' ' ' PHE . 13.8 tp -138.92 111.7 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.94 85.03 0.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.536 HD11 ' CD2' ' B' ' 330' ' ' LEU . 29.2 mm -86.89 127.19 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.6 71.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.73 129.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.4 -42.68 78.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -74.33 -51.09 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -58.32 -49.47 77.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.759 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 35.1 t80 -61.56 -35.12 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttm -64.55 -54.62 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.467 ' HE2' HG21 ' B' ' 332' ' ' ILE . 3.7 m-85 -59.43 -28.18 66.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -46.44 51.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.0 -31.4 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.032 HD22 HD11 ' C' ' 344' ' ' LEU . 12.1 mt -73.39 -31.3 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -71.03 -41.92 70.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.77 -31.62 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.735 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' B' ' 350' ' ' LEU . . . -72.27 -37.32 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.789 HD13 ' NZ ' ' B' ' 351' ' ' LYS . 3.7 mm? -68.26 -36.35 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.11 -28.72 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' B' ' 347' ' ' ALA . 3.9 mt -65.15 -42.58 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.789 ' NZ ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -61.33 -30.98 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.11 69.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -114.59 30.81 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -117.2 166.14 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.5 m -162.17 152.53 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -134.52 152.78 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.11 124.01 7.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.737 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.9 OUTLIER -118.06 134.53 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 331' ' ' GLY . . . . . 0.555 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -106.48 99.51 1.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.551 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.737 ' CD1' HD22 ' C' ' 330' ' ' LEU . 28.4 mm -102.69 131.86 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -101.59 86.97 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.1 134.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -72.22 -47.37 51.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -70.95 -42.0 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.566 ' HE ' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -62.04 -54.81 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.74 -32.51 72.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.342 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.02 -35.73 81.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.198 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.86 -60.04 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.499 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.9 m-85 -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -73.39 -44.47 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.75 -32.65 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 1.032 HD11 HD22 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -68.8 -36.1 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.62 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.626 ' ND2' HD21 ' D' ' 330' ' ' LEU . 19.7 m-20 -65.93 -45.83 80.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.97 -31.88 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.746 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -75.73 -31.4 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.762 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -73.76 -32.46 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -70.49 -30.77 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -66.64 -36.49 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -64.67 -34.38 78.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.67 -32.61 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -74.42 -51.74 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.12 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.548 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 10.7 t 60.65 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.439 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 3.9 m-85 -130.26 152.33 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.15 145.84 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.626 HD21 ' ND2' ' C' ' 345' ' ' ASN . 21.3 tp -128.93 140.39 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.01 102.18 2.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.665 HD13 ' HD1' ' D' ' 338' ' ' PHE . 3.3 mp -107.64 131.64 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -111.41 36.87 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.497 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -155.02 128.15 2.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.38 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.25 -40.4 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.601 ' HG2' HG23 ' D' ' 332' ' ' ILE . 9.2 ttp180 -62.49 -55.66 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.665 ' HD1' HD13 ' D' ' 332' ' ' ILE . 16.2 t80 -62.24 -33.15 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -62.95 -34.06 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.169 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -67.03 -60.71 2.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.187 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.1 m-85 -62.47 -25.09 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -76.26 -39.03 55.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.517 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -74.87 -31.17 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.735 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -73.35 -33.87 65.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.61 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -70.79 -41.98 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.763 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.3 -36.7 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.28 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.566 HD22 ' HE ' ' C' ' 337' ' ' ARG . 14.7 mt -70.2 -37.98 75.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.82 -30.51 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -65.62 -41.32 92.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.449 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 18.5 mttt -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -34.89 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -74.98 -41.27 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.11 -33.53 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.455 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m -67.62 93.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.446 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.5 m-85 -82.17 117.08 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.07 155.48 24.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' B' ' 338' ' ' PHE . 1.2 tt -148.02 136.74 21.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.431 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -93.72 94.9 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.586 HD13 HD22 ' A' ' 330' ' ' LEU . 30.5 mm -77.79 149.68 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -129.66 79.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.0 128.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -60.46 -37.82 82.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -73.21 -47.91 39.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.815 ' HG3' HD13 ' B' ' 348' ' ' LEU . 4.9 ttm180 -59.85 -52.09 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' B' ' 330' ' ' LEU . 68.0 t80 -61.12 -31.72 71.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.534 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.486 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.96 -56.55 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.307 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -60.99 -27.01 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -75.04 -44.76 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.81 -30.82 64.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.703 HD21 HD21 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -74.36 -31.62 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -71.65 -41.04 69.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.86 -26.45 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.5 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -80.97 -29.19 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.664 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.9 OUTLIER -79.26 -35.27 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.01 -24.61 55.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 350' ' ' LEU . 11.9 mt -78.01 -35.07 50.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -72.57 -31.16 65.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.89 -31.79 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -91.48 -40.51 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.02 -57.55 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.453 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 25.1 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.836 0.35 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 91.7 p -101.27 152.85 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 24.1 m-85 -146.05 134.86 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.73 143.79 17.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -133.32 134.29 43.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.34 101.5 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' B' ' 337' ' ' ARG . 3.8 mp -103.44 139.53 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -117.18 84.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.53 128.53 0.96 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -62.33 -35.7 79.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.25 -49.25 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.664 ' HG3' HD13 ' A' ' 348' ' ' LEU . 5.3 ttm180 -59.7 -51.94 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 32.1 t80 -61.73 -31.67 71.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.22 -37.61 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttm -66.45 -56.64 10.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.3 m-85 -62.39 -26.41 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.57 -42.26 59.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -31.38 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.668 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -74.12 -35.33 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.513 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.1 -41.87 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.671 ' O ' HD23 ' B' ' 350' ' ' LEU . 6.5 tt0 -72.34 -32.37 66.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.763 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.72 -33.16 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.815 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.7 OUTLIER -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -30.51 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.671 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -66.49 -44.25 83.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.422 ' HD2' HD23 ' B' ' 348' ' ' LEU . 15.4 ptpt -68.87 -31.41 70.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.94 -31.55 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.55 -31.34 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -68.66 -31.61 70.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.5 -172.65 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.485 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.84 0.353 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.8 m -101.12 127.78 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -107.55 123.34 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.57 148.73 21.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.462 HD22 HG13 ' C' ' 332' ' ' ILE . 0.6 OUTLIER -142.49 112.74 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -87.42 93.25 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.537 HD13 ' HD1' ' C' ' 341' ' ' PHE . 4.8 mt -95.29 137.37 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -105.85 75.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.26 120.42 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -62.34 -37.69 86.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.55 -49.15 34.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.407 ' HG2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.22 -51.42 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.409 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 17.0 t80 -60.62 -32.22 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -62.45 -38.33 89.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.517 ' O ' HD23 ' C' ' 344' ' ' LEU . 15.1 ttm -66.24 -57.55 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.265 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.537 ' HD1' HD13 ' C' ' 332' ' ' ILE . 3.3 m-85 -61.39 -25.95 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.07 -46.23 21.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.39 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -31.15 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.148 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.781 ' O ' HD12 ' C' ' 348' ' ' LEU . 3.2 mm? -69.5 -45.84 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -58.66 -39.18 79.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.683 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.634 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 tt0 -71.74 -37.61 70.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.43 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.781 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.3 OUTLIER -70.62 -38.93 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.62 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.634 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.8 mm? -64.47 -44.76 90.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.53 -31.54 57.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.28 -33.19 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -31.76 59.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 77.86 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.494 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.42 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 61.9 p -103.03 151.9 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 37.5 m-85 -149.51 142.81 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.15 118.15 5.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' D' ' 332' ' ' ILE . 1.1 tt -101.16 131.19 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 331' ' ' GLY . . . . . 0.447 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -99.33 88.81 0.84 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.667 HD11 ' HB3' ' D' ' 330' ' ' LEU . 3.6 mp -96.99 114.01 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -96.56 40.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.08 140.37 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.79 -52.58 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.09 -47.65 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.606 ' HD3' HD13 ' C' ' 348' ' ' LEU . 1.7 ttm105 -59.64 -51.26 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.5 t80 -60.61 -32.22 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.15 -39.42 92.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.421 ' O ' HD23 ' D' ' 344' ' ' LEU . 7.6 mtm -64.89 -56.55 12.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.368 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.99 -26.46 64.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -75.87 -49.21 18.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.393 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -66.56 -30.72 71.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.175 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 344' ' ' LEU . 2.8 mm? -68.82 -45.9 70.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.406 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.445 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -59.77 -40.4 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.76 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.689 ' O ' HD23 ' D' ' 350' ' ' LEU . 7.4 tt0 -74.92 -32.95 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.87 -30.06 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.533 HD23 ' NZ ' ' D' ' 351' ' ' LYS . 12.4 mt -76.92 -30.77 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.57 -29.61 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.689 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -71.34 -43.48 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.533 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 14.2 ptpt -64.25 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.91 -31.41 72.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.42 72.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.11 -39.07 21.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.92 119.59 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.864 0.364 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 72.3 p -131.77 122.95 26.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.438 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.7 m-85 -106.82 140.04 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.88 9.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.7 OUTLIER -109.49 133.3 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.471 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -103.02 83.9 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.78 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.4 mm -84.85 138.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -115.3 35.53 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.556 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -149.64 136.66 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -34.13 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.95 -49.37 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.846 ' HG2' HD22 ' B' ' 348' ' ' LEU . 4.5 tpt180 -59.39 -51.12 71.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' B' ' 330' ' ' LEU . 51.1 t80 -62.97 -33.13 74.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.89 -37.43 86.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.304 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mmm -64.11 -57.76 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.3 m-85 -57.38 -27.72 62.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -67.11 -40.42 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.539 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -31.71 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.522 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.773 HD21 HD11 ' D' ' 344' ' ' LEU . 1.3 mp -71.96 -34.94 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.587 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -44.38 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -30.99 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.19 60.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.402 HD13 ' HE ' ' B' ' 337' ' ' ARG . 12.5 mt -72.33 -31.89 66.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.82 -29.85 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.53 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -60.25 -31.36 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.38 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.66 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -114.77 113.43 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.479 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.888 0.375 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 44.3 t 60.32 90.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -108.21 150.16 27.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 126.17 8.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 1.057 HD23 HD11 ' B' ' 332' ' ' ILE . 4.7 tp -107.29 117.36 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.71 114.0 4.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 1.057 HD11 HD23 ' B' ' 330' ' ' LEU . 3.3 mp -125.38 134.52 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -98.45 34.43 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.422 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -138.98 137.24 8.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.0 -45.52 49.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.78 -49.73 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.8 ttm180 -58.9 -50.56 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.48 ' HD1' HD13 ' B' ' 332' ' ' ILE . 42.7 t80 -61.47 -34.26 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.71 -38.35 87.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.559 ' O ' HD12 ' B' ' 344' ' ' LEU . 27.5 ttm -64.92 -57.07 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.525 ' HE1' HD22 ' A' ' 344' ' ' LEU . 2.7 m-85 -62.73 -29.73 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.741 ' HA ' HD11 ' A' ' 330' ' ' LEU . 0.0 OUTLIER -76.23 -37.47 57.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.72 -36.43 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.734 ' CG ' HD21 ' C' ' 344' ' ' LEU . 0.8 OUTLIER -67.19 -40.85 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.475 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -61.44 -42.94 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -48.3 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.19 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.732 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.846 HD22 ' HG2' ' A' ' 337' ' ' ARG . 14.1 tp -66.85 -40.48 87.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -29.73 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.453 HD11 HE22 ' C' ' 354' ' ' GLN . 0.1 OUTLIER -71.84 -41.57 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -64.08 -30.31 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.35 -33.11 75.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.94 32.3 6.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -170.43 83.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.511 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.429 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 8.6 mp0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.848 0.356 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.5 t -86.39 147.48 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 22.3 m-85 -136.58 136.1 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.86 127.84 8.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.728 HD22 HG13 ' C' ' 332' ' ' ILE . 0.5 OUTLIER -100.03 132.06 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -113.07 89.0 0.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.728 HG13 HD22 ' C' ' 330' ' ' LEU . 4.6 mt -95.64 149.69 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -126.22 77.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.81 148.0 5.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -73.38 -47.03 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.72 -36.46 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.682 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -63.64 -56.07 18.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.735 ' CZ ' HD12 ' D' ' 330' ' ' LEU . 16.4 t80 -60.51 -32.12 71.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.88 -36.26 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -59.2 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.224 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -62.52 -24.92 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -77.01 -40.88 44.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.498 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.86 -30.64 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.734 HD21 ' CG ' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 179.657 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -72.2 -42.85 65.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.61 -31.83 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.99 56.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' D' ' 337' ' ' ARG . 2.4 mt -75.38 -31.53 60.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 -29.73 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -66.49 -37.1 84.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -64.09 -34.88 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -67.88 -32.12 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.93 -33.48 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.453 HE22 HD11 ' B' ' 350' ' ' LEU . 69.2 mt-30 -78.24 -31.78 49.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -128.48 86.47 2.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.461 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 33.2 t -157.95 147.63 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 16.0 m-85 -143.84 139.08 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.88 157.55 25.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.844 HD22 HD11 ' D' ' 332' ' ' ILE . 0.9 OUTLIER -151.53 130.73 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.07 96.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.844 HD11 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -111.19 127.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -92.03 74.71 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.91 127.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -77.46 -33.93 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.55 -52.71 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.498 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.26 -49.86 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 16.6 t80 -61.82 -32.47 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.73 -37.49 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -56.85 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.367 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.5 m-85 -62.09 -25.65 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -75.73 -42.07 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.8 -30.95 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.773 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -73.69 -31.31 63.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.652 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.36 -42.87 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.523 ' O ' HD23 ' D' ' 350' ' ' LEU . 36.4 tt0 -70.93 -36.05 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.722 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.13 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 344' ' ' LEU . 2.4 mt -72.64 -31.29 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.54 -30.63 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -63.19 -41.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' D' ' 355' ' ' ALA . 20.6 mtpp -66.17 -31.78 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -35.39 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.35 72.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -116.91 31.41 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' D' ' 351' ' ' LYS . . . -95.83 145.89 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.475 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.776 0.322 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.81 152.22 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -146.94 139.15 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.13 140.88 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' B' ' 338' ' ' PHE . 12.6 tp -135.3 124.28 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.83 82.36 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.76 143.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -117.24 73.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 142.36 4.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -76.01 -48.86 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.86 -43.31 72.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 1.3 ttp85 -61.91 -55.0 34.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 30.9 t80 -62.77 -31.18 72.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.89 -35.05 79.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.298 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttm -67.65 -58.23 5.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.245 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.06 -25.12 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -75.96 -41.87 50.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.51 -30.05 61.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.463 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.986 HD22 HD11 ' D' ' 344' ' ' LEU . 13.3 mt -74.29 -30.76 62.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -73.46 -43.25 60.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -72.39 -31.5 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.6 mm? -72.95 -30.55 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -68.58 -30.25 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.584 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 15.2 mttt -63.21 -33.79 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -59.89 -43.68 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.92 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -76.49 -42.14 44.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.86 123.01 27.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.509 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 5.2 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.805 0.336 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.6 t -86.29 115.09 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 15.2 m-85 -103.23 145.98 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -92.25 122.12 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.553 HD23 HD11 ' B' ' 332' ' ' ILE . 16.8 tp -104.56 131.8 51.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.99 95.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.566 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.5 mp -96.08 124.69 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.08 30.87 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.566 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -150.2 144.9 12.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -73.43 -49.29 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.24 99.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.403 ' NE ' ' HB3' ' A' ' 348' ' ' LEU . 4.7 mtm180 -62.19 -55.36 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.685 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.634 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 26.1 t80 -60.27 -20.58 59.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.08 -40.58 62.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.207 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' B' ' 341' ' ' PHE . 1.8 ptm -69.79 -40.09 76.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.001 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' B' ' 340' ' ' MET . 3.0 m-85 -72.02 -28.97 63.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -75.48 -41.27 55.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' B' ' 348' ' ' LEU . 36.2 mt -73.8 -31.71 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.604 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.01 -31.93 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.85 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -71.74 -41.51 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.36 -31.58 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.99 -34.25 77.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -62.17 -31.46 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.06 -37.44 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.52 70.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.28 -31.69 71.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.58 31.42 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.47 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.87 153.4 18.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -142.47 119.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.73 158.39 35.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.699 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.9 OUTLIER -147.43 133.98 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 331' ' ' GLY . . . . . 0.536 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -110.16 82.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.699 ' CD1' HD22 ' C' ' 330' ' ' LEU . 28.0 mm -76.32 132.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -98.81 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.562 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -139.96 141.27 11.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -78.03 -53.48 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.47 -43.91 92.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.736 ' CG ' HD13 ' D' ' 348' ' ' LEU . 3.2 ttm180 -60.7 -53.1 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.745 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' D' ' 330' ' ' LEU . 51.7 t80 -60.33 -32.57 71.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.2 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -55.24 19.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.375 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.403 ' HE2' HD22 ' D' ' 344' ' ' LEU . 5.0 m-85 -58.75 -25.96 63.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.992 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.33 32.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.85 -31.27 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.756 ' O ' HD12 ' C' ' 348' ' ' LEU . 2.1 mp -71.45 -39.32 71.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.584 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -64.24 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.15 -37.01 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.68 -31.35 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.756 HD12 ' O ' ' C' ' 344' ' ' LEU . 1.2 mt -79.84 -27.19 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.12 -30.83 43.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.27 -32.87 59.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.53 -30.69 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -31.43 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.81 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.572 ' OE1' ' HB2' ' C' ' 355' ' ' ALA . 0.0 OUTLIER -78.6 -30.98 46.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.572 ' HB2' ' OE1' ' C' ' 354' ' ' GLN . . . -121.58 99.87 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CE1' ' D' ' 328' ' ' PHE . 35.2 mt-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.754 0.311 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.3 m -78.49 152.86 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.4 ' CE1' ' O ' ' D' ' 326' ' ' GLU . 27.4 m-85 -142.51 129.1 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -81.14 146.23 26.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.583 HD22 ' CG1' ' D' ' 332' ' ' ILE . 0.4 OUTLIER -134.34 132.49 39.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.73 91.16 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.583 ' CG1' HD22 ' D' ' 330' ' ' LEU . 4.7 mt -103.37 118.57 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -98.14 36.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.459 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -143.3 132.35 4.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -67.76 -51.36 50.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.74 ' HD2' HD13 ' C' ' 348' ' ' LEU . 1.1 tpp180 -63.67 -56.31 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.0 t80 -59.8 -31.42 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.66 -36.98 85.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.408 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.62 -57.46 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.8 m-85 -62.01 -25.87 67.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -73.91 -41.03 62.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -30.28 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.986 HD11 HD22 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -74.97 -31.58 61.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.712 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -73.07 -40.71 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.4 -32.28 62.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.584 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -78.12 -30.92 49.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.736 HD13 ' CG ' ' C' ' 337' ' ' ARG . 3.1 mt -76.85 -29.62 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.73 -30.17 62.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.22 -36.66 77.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.68 -40.91 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.84 74.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -74.94 -31.65 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.81 -30.96 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t -87.45 111.19 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.92 123.56 41.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.39 26.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 338' ' ' PHE . 1.1 tt -130.96 132.27 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.63 87.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.619 HG13 HD22 ' A' ' 330' ' ' LEU . 3.7 mp -83.23 131.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 75.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.96 127.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -38.54 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -72.3 -44.49 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.69 ' CG ' HD13 ' B' ' 348' ' ' LEU . 7.5 ttm180 -60.67 -52.99 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CD1' HD13 ' A' ' 332' ' ' ILE . 17.1 t80 -60.62 -31.94 71.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.16 -37.55 87.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.439 ' O ' HD12 ' A' ' 344' ' ' LEU . 6.7 ttm -65.98 -56.77 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.298 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -60.57 -26.88 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -72.3 -43.0 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.48 -31.19 63.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.453 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.758 ' HG ' HD11 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 179.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.627 HD22 HD21 ' B' ' 330' ' ' LEU . 41.5 t30 -70.92 -43.81 67.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.21 -31.48 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.72 -30.63 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 344' ' ' LEU . 1.2 mt -76.07 -30.94 58.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -72.36 -31.42 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.411 HD21 HE22 ' D' ' 354' ' ' GLN . 2.3 mt -69.06 -40.14 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.704 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 15.3 mtpt -62.03 -31.21 71.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.36 -36.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.62 84.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.08 -38.01 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.01 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.493 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.806 0.336 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 22.0 m -131.26 114.27 14.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 19.2 m-85 -107.75 144.79 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.25 146.26 16.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.645 HD22 HG13 ' B' ' 332' ' ' ILE . 4.9 tt -138.16 145.26 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 331' ' ' GLY . . . . . 0.533 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -97.49 82.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.645 HG13 HD22 ' B' ' 330' ' ' LEU . 3.7 mp -75.77 119.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -97.11 77.21 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.5 141.72 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -77.53 -38.05 49.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -45.32 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.576 ' CG ' HD13 ' A' ' 348' ' ' LEU . 6.7 ttm180 -60.62 -53.1 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.776 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE2' HD12 ' A' ' 330' ' ' LEU . 15.9 t80 -61.14 -31.96 71.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.62 -37.03 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.533 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -56.35 10.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.364 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.2 m-85 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -74.77 -44.65 48.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.04 -33.85 70.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.066 HD22 HD11 ' C' ' 344' ' ' LEU . 54.7 mt -72.33 -29.37 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.729 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -71.91 -42.58 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.17 -36.0 71.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.64 -31.37 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.736 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.83 -30.45 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.49 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -61.45 -33.76 74.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.2 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -80.8 -37.64 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.19 176.4 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.404 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.836 0.35 . . . . 0.0 111.219 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 129.76 52.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.404 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 10.1 m-85 -110.52 123.56 50.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.16 122.78 7.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.753 HD22 HD11 ' C' ' 332' ' ' ILE . 0.9 OUTLIER -106.26 126.8 52.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.78 95.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.753 HD11 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -111.06 133.88 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -100.37 71.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.19 134.25 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.27 -44.52 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.0 -47.05 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.414 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 11.2 ttm180 -60.12 -52.64 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.54 -31.9 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.73 -38.97 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.441 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -65.62 -58.19 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.189 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.414 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -62.38 -27.16 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.41 -41.65 46.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.5 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.47 -31.32 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.493 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 1.066 HD11 HD22 ' B' ' 344' ' ' LEU . 5.0 tp -72.63 -32.91 66.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.566 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.26 -44.03 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.84 -33.51 76.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.517 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -68.32 -40.53 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.714 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.9 mm? -63.49 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.714 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -31.19 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.34 -38.74 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.2 -36.33 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -32.12 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -79.41 -36.19 39.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.08 -174.48 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.49 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.883 0.373 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 68.0 m 60.61 110.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.8 142.2 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.7 124.05 6.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' D' ' 332' ' ' ILE . 11.3 tp -90.79 89.76 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -73.48 82.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.576 HG22 ' H ' ' D' ' 334' ' ' GLY . 25.9 mm -104.67 126.58 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.91 32.07 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.576 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -144.05 130.41 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -36.79 83.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.37 -51.11 21.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -58.74 -48.7 80.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' C' ' 330' ' ' LEU . 16.3 t80 -61.19 -33.54 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -64.46 -55.54 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.486 ' HE2' HD23 ' C' ' 344' ' ' LEU . 4.6 m-85 -58.83 -28.0 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -73.95 -48.97 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.52 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.74 -31.67 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.251 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.784 ' O ' HD13 ' D' ' 348' ' ' LEU . 2.7 mm? -69.85 -46.85 64.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.406 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.61 -38.45 87.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.49 -46.5 66.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.704 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -66.67 -29.0 68.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.784 HD13 ' O ' ' D' ' 344' ' ' LEU . 6.3 mp -69.91 -37.24 75.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.46 -31.14 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.72 -39.65 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -59.81 -37.67 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.9 -40.85 96.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.13 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.411 HE22 HD21 ' A' ' 350' ' ' LEU . 73.4 mt-30 -68.57 -32.28 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.87 114.6 22.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.551 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.761 0.315 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 41.8 t -106.09 152.98 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 56.7 m-85 -146.65 125.06 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.88 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' B' ' 338' ' ' PHE . 0.4 OUTLIER -108.22 142.46 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.07 115.22 4.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.443 HG23 ' HD2' ' A' ' 337' ' ' ARG . 3.9 mp -122.88 112.89 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.149 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.24 73.0 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.25 145.78 7.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttp-105 -78.23 -56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.39 -39.95 92.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.443 ' HD2' HG23 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -62.73 -55.8 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.668 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.58 ' CD1' HD12 ' B' ' 330' ' ' LEU . 58.9 t80 -60.99 -31.56 71.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.02 -37.17 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.589 ' O ' HD23 ' A' ' 344' ' ' LEU . 5.9 ttm -65.58 -56.31 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.316 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.6 -26.04 60.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -47.75 60.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.455 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.52 -30.3 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.23 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 340' ' ' MET . 4.0 mm? -70.41 -43.76 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -41.48 97.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.739 ' O ' HD23 ' A' ' 350' ' ' LEU . 11.9 pt-20 -75.51 -31.07 60.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.78 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.974 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.888 HD13 ' CG ' ' B' ' 337' ' ' ARG . 3.2 mt -78.97 -28.65 43.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.8 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.91 -27.34 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.5 mm? -73.15 -39.01 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -27.36 67.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.72 -31.59 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.11 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -32.4 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -128.76 93.42 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.501 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 m 60.82 111.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -133.08 106.31 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.07 135.26 25.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.58 HD12 ' CD1' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -123.67 128.55 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.32 112.38 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.602 HD12 ' N ' ' B' ' 332' ' ' ILE . 3.2 mp -110.15 138.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -106.48 31.04 5.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.589 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -147.18 144.54 12.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.92 -37.31 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -72.86 -46.19 54.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.888 ' CG ' HD13 ' A' ' 348' ' ' LEU . 5.9 ttm180 -59.57 -51.12 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.564 ' HD2' HD13 ' B' ' 332' ' ' ILE . 23.0 t80 -60.34 -35.09 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.618 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -61.24 -37.91 84.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.81 -56.2 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.508 ' HB2' HD13 ' A' ' 330' ' ' LEU . 5.7 m-85 -58.62 -26.4 63.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -44.09 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.81 -31.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -74.93 -33.9 62.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.628 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -71.87 -39.13 69.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -27.11 47.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.98 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.639 HD12 ' O ' ' B' ' 344' ' ' LEU . 11.9 mt -82.54 -25.47 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.17 -31.17 30.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.77 HD12 ' N ' ' B' ' 351' ' ' LYS . 4.1 pp -79.44 -27.71 41.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.796 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.77 ' N ' HD12 ' B' ' 350' ' ' LEU . 15.3 ttpp -78.83 -34.3 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.711 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.7 -30.82 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.35 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -88.89 -36.95 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.68 82.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.522 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.845 0.355 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.98 126.81 35.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -126.15 123.82 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.86 135.73 14.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.519 HD22 HG13 ' C' ' 332' ' ' ILE . 0.8 OUTLIER -117.78 131.62 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 331' ' ' GLY . . . . . 0.486 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -103.83 100.94 1.94 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.694 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.8 mp -113.22 149.37 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -129.52 76.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.07 124.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -60.82 -37.66 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.41 -46.06 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.517 ' NE ' HD23 ' D' ' 348' ' ' LEU . 6.6 ttm105 -60.13 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.613 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.275 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -59.84 -36.57 77.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.421 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -59.5 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.144 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' C' ' 337' ' ' ARG . 8.7 m-85 -58.02 -22.24 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.211 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -44.46 50.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.463 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -30.63 67.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 344' ' ' LEU . 1.7 mt -72.31 -39.33 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.674 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.3 -39.47 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.473 ' O ' HD12 ' C' ' 350' ' ' LEU . 8.5 mt-10 -71.81 -42.36 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' HD3' ' B' ' 351' ' ' LYS . . . -71.63 -28.77 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.8 tp -74.34 -34.14 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.26 -29.91 67.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.473 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.2 mp -65.89 -38.87 89.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -58.6 -31.7 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.16 -30.8 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.52 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -30.25 26.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.41 96.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.538 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.83 0.347 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 12.4 m 60.65 108.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -123.88 152.42 42.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -132.27 139.39 10.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.524 HD23 ' N ' ' D' ' 331' ' ' GLY . 0.7 OUTLIER -131.15 146.25 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 331' ' ' GLY . . . . . 0.524 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -106.37 82.49 0.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.498 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -84.46 119.74 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -100.94 72.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.7 123.41 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.86 91.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.161 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.56 -52.22 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.208 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.403 ' HD2' HG22 ' D' ' 332' ' ' ILE . 3.7 ptp180 -65.35 -39.82 92.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.719 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -69.84 -32.41 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.258 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -65.72 -56.85 9.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.78 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -77.37 -43.26 33.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.488 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.36 -30.51 66.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.77 ' O ' HD13 ' D' ' 348' ' ' LEU . 5.1 mp -75.35 -43.6 49.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.488 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.694 ' OD1' HG23 ' C' ' 332' ' ' ILE . 3.1 t30 -68.6 -32.95 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -74.01 -44.92 52.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.519 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.6 -27.5 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.77 HD13 ' O ' ' D' ' 344' ' ' LEU . 5.6 mp -72.21 -38.16 69.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.691 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.28 -46.47 80.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -60.24 -33.2 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -35.94 78.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.63 -33.77 41.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.23 -176.57 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.498 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m 61.15 112.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.08 126.8 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.85 144.58 36.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.662 HD13 ' CE1' ' B' ' 338' ' ' PHE . 11.0 tp -146.51 137.79 24.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.23 82.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.579 HD13 ' HD2' ' A' ' 341' ' ' PHE . 3.9 mt -86.57 130.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -103.68 83.25 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.07 125.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -60.54 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.91 -38.2 81.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.541 ' HE ' HD12 ' B' ' 348' ' ' LEU . 2.7 tpt180 -63.2 -56.24 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 15.5 t80 -62.13 -32.44 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.414 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.33 -33.9 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.327 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.4 mtp -67.99 -57.46 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.272 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.579 ' HD2' HD13 ' A' ' 332' ' ' ILE . 2.8 m-85 -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.692 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -76.59 -45.53 29.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.353 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -69.12 -31.79 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.648 HD11 HD21 ' D' ' 344' ' ' LEU . 3.1 mt -68.6 -39.34 80.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.61 -46.09 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.84 -32.76 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -75.17 -31.97 61.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.854 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.27 -34.77 70.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.64 -29.55 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.87 -35.11 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -68.21 -37.08 80.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -64.22 -32.53 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.05 -31.5 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.98 -31.93 45.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.99 160.65 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.487 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 39.8 m 61.17 112.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.4 m-85 -125.13 151.06 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.77 154.81 16.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.881 HD23 HD11 ' B' ' 332' ' ' ILE . 38.9 tp -152.89 149.63 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.98 82.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.881 HD11 HD23 ' B' ' 330' ' ' LEU . 31.0 mm -71.4 115.82 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -96.1 77.4 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.54 140.53 2.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.64 -35.84 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -53.08 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -57.66 -49.06 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.662 ' CE1' HD13 ' A' ' 330' ' ' LEU . 74.9 t80 -61.44 -34.67 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.11 -37.26 84.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.415 ' O ' HD12 ' B' ' 344' ' ' LEU . 3.1 ttp -66.33 -55.97 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 5.3 m-85 -61.37 -26.97 68.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CD ' ' CE2' ' B' ' 338' ' ' PHE . 5.3 mtp180 -73.45 -42.28 62.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.51 -33.2 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.439 HD13 ' HE1' ' A' ' 341' ' ' PHE . 4.5 mt -71.53 -41.29 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -65.42 -39.07 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.97 80.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.722 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.26 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.541 HD12 ' HE ' ' A' ' 337' ' ' ARG . 0.8 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -57.74 -30.08 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.82 -36.49 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -66.95 -38.54 86.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -39.67 93.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.43 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -31.62 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.37 136.63 33.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.509 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.431 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 9.1 mt-10 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.85 0.357 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.53 145.71 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 25.6 m-85 -142.65 147.19 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.95 134.28 11.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.587 HD23 HD11 ' C' ' 332' ' ' ILE . 22.8 tp -128.49 114.53 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.08 82.48 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.587 HD11 HD23 ' C' ' 330' ' ' LEU . 3.7 mp -86.19 131.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.67 70.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.25 140.96 4.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -78.35 -39.92 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -48.25 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.8 -52.06 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.736 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.9 t80 -62.03 -32.18 72.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.91 -36.96 85.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.612 ' O ' HD13 ' C' ' 344' ' ' LEU . 1.3 mtp -66.65 -55.62 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.357 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.8 m-85 -62.1 -28.24 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -44.9 26.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 110.441 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.5 -30.41 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.262 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.612 HD13 ' O ' ' C' ' 340' ' ' MET . 6.4 mp -72.38 -42.84 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.39 -36.28 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.11 -42.03 63.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.894 HD23 ' HG3' ' D' ' 337' ' ' ARG . 12.6 tp -78.9 -25.51 43.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.736 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.0 -29.17 58.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.84 -45.22 52.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -30.63 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.8 -30.39 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.48 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.65 -31.83 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.96 172.72 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 5.6 t 62.6 147.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 29.5 m-85 -148.15 142.36 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.96 116.48 5.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 17.9 tp -109.04 130.09 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.75 82.43 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.566 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mp -83.49 123.36 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 31.19 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.566 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.13 128.93 5.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.26 -47.1 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.9 -40.7 72.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.894 ' HG3' HD23 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -61.96 -55.27 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.4 t80 -60.08 -33.69 72.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.85 -37.48 84.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.464 ' O ' HD23 ' D' ' 344' ' ' LEU . 6.3 ttm -64.87 -57.78 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 7.7 m-85 -58.07 -23.88 56.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -43.66 68.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.49 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -68.74 -31.59 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.738 ' O ' HD23 ' D' ' 348' ' ' LEU . 4.2 mm? -71.71 -44.46 64.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.574 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.02 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -75.15 -36.27 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -75.14 -30.18 60.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.738 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.9 mm? -76.77 -31.84 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -74.14 -31.45 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -31.41 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.76 -34.85 79.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.34 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -78.55 -32.06 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.88 93.98 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.499 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.406 ' O ' ' CE1' ' A' ' 328' ' ' PHE . 5.5 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 30.5 t -89.42 121.27 31.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 11.8 m-85 -108.36 151.43 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.52 157.81 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' B' ' 332' ' ' ILE . 5.2 mp -140.94 152.04 44.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.21 82.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.411 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 334' ' ' GLY . 20.2 mm -80.4 141.58 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.337 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 30.65 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -159.64 144.0 9.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -30.85 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -54.29 20.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -48.87 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.794 ' CE2' HD22 ' B' ' 330' ' ' LEU . 24.2 t80 -62.62 -31.95 72.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -37.46 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -57.01 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.77 -26.78 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -73.63 -44.96 55.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.525 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -72.13 -31.69 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.64 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.48 -33.79 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.21 -43.48 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.98 -30.61 58.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.657 HD13 ' HD2' ' B' ' 337' ' ' ARG . 2.4 mt -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.99 -33.81 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.76 -33.17 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -63.71 -34.62 78.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -41.88 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.23 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -78.0 -38.54 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.19 162.25 21.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.846 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.2 t -129.32 112.28 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 61.7 m-85 -101.0 118.41 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.09 138.07 13.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.794 HD22 ' CE2' ' A' ' 338' ' ' PHE . 1.2 pt? -145.72 149.4 34.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -131.73 113.0 1.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.576 HD11 HD12 ' B' ' 330' ' ' LEU . 3.6 mp -102.24 152.32 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.27 38.1 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.33 143.18 14.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -55.27 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -59.65 -48.31 82.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.657 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.31 -53.06 62.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.651 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.51 ' CD2' HD11 ' A' ' 330' ' ' LEU . 16.3 t80 -63.79 -32.03 73.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.65 -35.86 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.0 ttp -67.46 -58.98 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -61.93 -23.68 66.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.9 32.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -32.44 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.866 HD11 HD11 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -73.83 -31.64 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -40.81 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.691 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.72 -41.52 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.29 -31.29 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.1 mm? -72.06 -31.16 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.64 -31.51 71.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -37.68 81.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.64 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -68.11 -31.26 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.19 -45.8 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.58 -31.39 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.07 143.76 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.479 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.805 0.336 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 6.0 p -104.58 131.94 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.437 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 6.3 m-85 -107.62 142.2 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.64 119.39 6.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.821 HD23 HD11 ' C' ' 332' ' ' ILE . 14.1 tp -97.82 114.6 26.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.75 84.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.821 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -92.53 128.77 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -105.7 35.19 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.552 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -148.2 141.56 9.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -74.86 -39.57 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -72.22 -44.86 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.608 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -60.13 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.15 -33.99 72.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -37.36 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.669 ' O ' HD23 ' C' ' 344' ' ' LEU . 0.0 OUTLIER -65.72 -57.38 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.336 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 4.7 m-85 -60.4 -26.99 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -76.32 -46.49 27.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.485 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.79 -31.75 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.866 HD11 HD11 ' B' ' 344' ' ' LEU . 4.0 mm? -69.75 -45.56 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.365 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.451 ' HA ' HD12 ' C' ' 348' ' ' LEU . 52.6 t30 -61.84 -39.91 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.77 -38.73 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.81 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.69 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.778 HD22 ' CZ ' ' D' ' 337' ' ' ARG . 13.5 mt -68.89 -43.44 75.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.12 -25.56 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.79 -34.65 71.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.744 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -62.67 -33.13 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.68 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -71.14 -31.66 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 81.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.52 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 13.2 p -171.27 151.91 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -141.27 136.67 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.79 134.55 11.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.09 121.11 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.67 119.73 6.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.429 HG22 ' H ' ' D' ' 334' ' ' GLY . 4.6 mt -127.33 133.25 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.65 37.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.429 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -134.28 134.81 7.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -42.15 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.45 -46.43 32.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.778 ' CZ ' HD22 ' C' ' 348' ' ' LEU . 1.5 tpp180 -60.62 -53.34 58.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 21.2 t80 -61.9 -32.52 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.28 -36.22 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.244 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.426 ' O ' HD12 ' D' ' 344' ' ' LEU . 8.9 ttm -66.22 -60.59 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.75 -25.46 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -74.67 -41.49 60.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 110.581 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.92 -32.62 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 344' ' ' LEU . 1.8 mp -70.62 -35.24 72.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.671 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -43.21 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.414 ' O ' HD12 ' D' ' 350' ' ' LEU . 41.3 mt-10 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.16 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.608 HD13 ' HG3' ' C' ' 337' ' ' ARG . 1.2 mt -79.03 -34.94 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.665 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -26.1 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.414 HD12 ' O ' ' D' ' 346' ' ' GLU . 10.0 mt -72.7 -32.97 66.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.54 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 2.1 ptpp? -76.86 -28.48 55.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -77.88 -31.75 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.58 -31.29 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -31.6 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.71 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.524 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.802 0.334 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.3 m -95.46 152.3 18.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 14.7 m-85 -145.36 152.25 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.83 112.77 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.618 HD13 ' CE1' ' B' ' 338' ' ' PHE . 22.9 tp -95.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.11 86.88 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.461 HD13 ' ND2' ' B' ' 345' ' ' ASN . 23.9 mm -96.09 140.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.29 79.55 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.32 124.04 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.33 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.32 -42.81 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 3.0 tpp180 -60.93 -53.91 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' B' ' 330' ' ' LEU . 17.2 t80 -61.88 -35.7 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.386 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.47 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.366 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.591 ' O ' HD13 ' A' ' 344' ' ' LEU . 23.6 ttp -66.31 -57.76 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.28 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.4 m-85 -58.99 -29.28 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.73 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.197 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.76 -28.79 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.232 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.785 HD21 HD21 ' D' ' 344' ' ' LEU . 6.0 mp -70.32 -44.23 68.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.479 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -60.55 -39.97 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -67.39 -48.05 68.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.34 66.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.897 HD23 ' HD2' ' B' ' 337' ' ' ARG . 2.9 mp -74.24 -30.31 62.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.15 -30.4 67.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -66.67 -40.81 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.696 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 5.6 mtpm? -59.8 -34.06 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.07 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.46 -45.75 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.99 84.09 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.531 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.837 0.351 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.4 t 60.88 110.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -139.02 147.4 42.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.16 130.49 10.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.613 HD22 ' CG1' ' B' ' 332' ' ' ILE . 0.4 OUTLIER -112.5 103.4 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.41 82.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.613 ' CG1' HD22 ' B' ' 330' ' ' LEU . 33.3 mt -95.94 140.09 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.085 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -115.96 66.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.63 135.71 3.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -75.62 -43.08 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.16 -41.5 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.897 ' HD2' HD23 ' A' ' 348' ' ' LEU . 1.7 tpp180 -61.95 -55.63 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.656 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 330' ' ' LEU . 16.1 t80 -60.1 -32.94 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.339 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -36.09 79.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.233 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttp -66.76 -61.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.953 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.403 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 7.6 m-85 -60.75 -24.19 65.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.24 -29.59 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' C' ' 344' ' ' LEU . 4.9 mp -74.8 -39.47 61.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.461 ' ND2' HD13 ' A' ' 332' ' ' ILE . 53.5 t30 -72.34 -36.34 68.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.51 -27.04 60.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.659 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.16 -40.9 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.622 HD12 ' N ' ' B' ' 349' ' ' GLU . 4.6 pp -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 349' ' ' GLU . . . . . 0.622 ' N ' HD12 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -73.58 -28.99 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.611 179.69 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -35.47 80.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -61.28 -33.71 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.32 -45.96 91.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -71.43 -39.88 70.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.75 97.63 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.419 -1.212 . . . . 0.0 112.472 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.841 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t -131.21 151.34 51.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 26.1 m-85 -139.1 140.43 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.28 118.26 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' C' ' 332' ' ' ILE . 1.2 tt -101.67 133.34 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 331' ' ' GLY . . . . . 0.52 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -98.86 91.18 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.813 ' CD1' HD22 ' C' ' 330' ' ' LEU . 25.2 mm -94.07 132.5 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -116.01 31.08 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.598 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -144.25 142.6 11.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -53.5 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.5 -49.44 77.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -59.79 -47.14 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.456 ' HB2' HG21 ' C' ' 332' ' ' ILE . 30.9 t80 -61.85 -33.17 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.629 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.28 -41.09 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.621 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.77 -53.31 52.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.44 ' HE1' HD22 ' D' ' 344' ' ' LEU . 2.6 m-85 -61.04 -29.0 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -69.13 -41.64 77.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.724 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -35.39 76.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 344' ' ' LEU . 1.2 mp -69.03 -39.37 79.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -63.6 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.17 -47.85 66.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.646 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.91 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.841 HD22 ' HG2' ' D' ' 337' ' ' ARG . 10.1 tp -71.31 -41.74 69.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 -28.76 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -31.37 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -66.6 -31.41 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.46 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -67.92 -33.06 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.496 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.89 111.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -126.2 148.96 49.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -120.6 137.53 12.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.469 HD12 HD11 ' D' ' 332' ' ' ILE . 1.4 pt? -138.18 152.56 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -128.15 100.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.469 HD11 HD12 ' D' ' 330' ' ' LEU . 28.3 mm -91.67 138.81 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.11 31.61 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.462 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -132.6 122.4 3.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -52.59 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -46.07 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.841 ' HG2' HD22 ' C' ' 348' ' ' LEU . 0.1 OUTLIER -60.0 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 26.3 t80 -61.41 -34.28 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.48 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.24 -36.52 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.69 -57.27 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.341 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.619 ' HE1' HD22 ' C' ' 344' ' ' LEU . 8.3 m-85 -57.64 -26.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -47.62 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.63 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.83 -32.28 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.785 HD21 HD21 ' A' ' 344' ' ' LEU . 1.3 mp -69.39 -35.66 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.627 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -66.0 -45.52 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.696 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -74.34 -31.36 62.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.2 -37.02 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -43.61 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.19 -33.35 75.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -31.15 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -88.23 -47.53 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.63 -68.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.482 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.01 142.15 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -146.33 146.24 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.0 130.55 10.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 341' ' ' PHE . 14.3 mt -106.81 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.13 88.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 330' ' ' LEU . 3.9 mp -108.15 149.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -100.17 32.74 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.37 131.31 6.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -78.12 -36.49 47.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.82 -50.17 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' HG3' HD13 ' B' ' 348' ' ' LEU . 8.0 ttm180 -59.21 -51.38 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 18.1 t80 -61.69 -31.75 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.96 -38.19 90.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.438 ' O ' HD12 ' A' ' 344' ' ' LEU . 26.9 ttp -65.76 -56.72 10.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.357 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.435 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.7 m-85 -60.61 -26.38 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -72.58 -43.25 63.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 -32.1 67.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.799 HD23 HD11 ' D' ' 344' ' ' LEU . 1.2 mp -71.78 -32.75 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.587 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.41 -44.46 71.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.746 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.07 -38.17 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.78 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -70.13 -30.92 68.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.743 HD13 ' HD3' ' A' ' 351' ' ' LYS . 0.4 OUTLIER -70.33 -37.39 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.79 -31.06 70.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -46.4 55.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.743 ' HD3' HD13 ' A' ' 348' ' ' LEU . 4.0 ptmm? -68.78 -29.61 68.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.39 -31.34 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.27 -43.64 70.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.55 103.52 15.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.49 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.836 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 10.8 t -100.47 147.04 26.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.6 m-85 -117.58 134.72 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.39 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.605 HD13 HD11 ' B' ' 332' ' ' ILE . 0.7 OUTLIER -111.07 132.2 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 331' ' ' GLY . . . . . 0.463 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -101.73 94.91 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.605 HD11 HD13 ' B' ' 330' ' ' LEU . 3.8 mp -113.67 125.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -100.84 70.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.46 138.54 4.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -35.21 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -48.59 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.408 ' HB3' HG21 ' B' ' 332' ' ' ILE . 0.4 OUTLIER -58.95 -50.52 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE2' ' HG ' ' A' ' 330' ' ' LEU . 51.5 t80 -59.93 -34.94 73.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.35 -39.12 86.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.6 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -65.23 -56.29 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.357 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD11 ' A' ' 330' ' ' LEU . 2.9 m-85 -62.87 -28.84 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -77.85 -41.49 36.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.0 110.547 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.44 -31.03 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.698 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.5 OUTLIER -73.73 -32.93 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.582 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.98 -42.23 69.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.721 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.61 -34.91 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.457 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -75.93 -30.69 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 344' ' ' LEU . 4.3 mt -75.22 -30.25 60.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -71.06 -30.99 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -34.52 76.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.7 -41.08 97.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.17 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -73.48 -32.54 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.89 83.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.527 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.4 m -86.84 121.68 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 19.6 m-85 -110.72 143.54 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.8 107.29 2.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.706 HD12 ' CZ ' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -94.54 138.78 32.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.57 83.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.749 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -91.34 127.36 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -100.11 31.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.576 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -134.63 131.34 5.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -77.19 -40.03 46.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -66.44 -58.42 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.523 ' HG3' HG21 ' C' ' 332' ' ' ILE . 13.0 ptp180 -57.79 -42.03 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.31 -33.74 76.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.66 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.18 -38.6 91.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.428 ' O ' HD12 ' C' ' 344' ' ' LEU . 44.9 mtm -64.77 -53.37 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -59.37 -29.5 67.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -70.95 -47.21 60.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.647 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.698 ' CG ' HD21 ' B' ' 344' ' ' LEU . 0.8 OUTLIER -69.26 -34.96 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.619 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.4 -46.47 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.681 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -67.87 -36.13 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.698 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.17 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -39.21 76.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.779 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.46 -29.38 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -37.76 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 347' ' ' ALA . 1.9 ttmm -64.18 -35.47 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.26 -36.42 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.33 62.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 -31.78 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.34 -174.27 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.524 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 5.1 mm-40 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.86 0.362 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.9 t -92.21 147.67 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 17.4 m-85 -137.88 146.92 43.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.96 105.24 3.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -90.11 111.43 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.33 84.85 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.32 137.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.75 79.31 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.36 122.52 0.7 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.42 -46.71 89.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.8 -47.79 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.6 tpp180 -60.24 -52.88 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.706 ' CZ ' HD12 ' C' ' 330' ' ' LEU . 23.0 t80 -62.25 -31.2 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -36.37 83.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 mtm -66.53 -56.75 9.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.407 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.624 ' HE1' HD22 ' C' ' 344' ' ' LEU . 4.0 m-85 -61.67 -27.27 68.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.51 ' HA ' HD11 ' C' ' 330' ' ' LEU . 3.4 ttt85 -74.09 -42.7 59.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.57 -32.17 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.799 HD11 HD23 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -72.2 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.661 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.749 ' OD1' HG23 ' C' ' 332' ' ' ILE . 0.7 OUTLIER -70.52 -43.52 69.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.722 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.39 -36.66 83.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.8 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.5 -33.33 75.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.21 -41.45 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.78 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 24.2 mttm -65.06 -31.74 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.2 -37.98 86.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -84.28 -45.62 12.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.0 95.26 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 328' ' ' PHE . 6.8 tt0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 152.86 32.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 326' ' ' GLU . 14.6 m-85 -146.92 125.23 12.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.08 145.88 20.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.804 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.2 tt -128.32 139.58 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.586 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -106.96 90.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.804 ' CD1' HD22 ' A' ' 330' ' ' LEU . 24.5 mm -94.24 126.12 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.65 30.25 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.578 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -142.83 136.38 7.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -35.87 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.03 -47.28 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' B' ' 348' ' ' LEU . 8.4 ttm180 -60.18 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.424 ' CE2' ' HG ' ' B' ' 330' ' ' LEU . 17.6 t80 -60.49 -31.74 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -39.01 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.372 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -65.41 -58.28 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.253 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' B' ' 330' ' ' LEU . 4.3 m-85 -60.52 -25.1 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -72.03 -40.3 68.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.94 -31.64 63.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' D' ' 344' ' ' LEU . 10.1 mt -75.07 -31.33 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -73.28 -38.39 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.707 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.5 mm-40 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.646 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -74.25 -33.92 63.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.69 HD13 ' CG ' ' B' ' 337' ' ' ARG . 3.4 mt -75.14 -27.09 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.05 -31.9 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.4 mm? -74.0 -43.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -29.66 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.9 -30.66 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.06 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.94 -34.18 33.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.55 -171.48 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.478 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.34 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 36.0 m 60.15 101.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -105.27 150.26 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.74 119.49 5.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.725 HD22 HD11 ' B' ' 332' ' ' ILE . 0.8 OUTLIER -106.35 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.49 5.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.725 HD11 HD22 ' B' ' 330' ' ' LEU . 3.9 mt -127.18 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -99.53 31.23 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.562 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -146.64 125.04 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.39 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.48 -44.34 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.69 ' CG ' HD13 ' A' ' 348' ' ' LEU . 13.9 mtm180 -60.09 -52.01 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 16.9 t80 -59.37 -33.07 70.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.706 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.24 -39.76 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttp -65.18 -55.18 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -74.82 -44.52 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.555 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.11 -29.39 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.375 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.789 ' O ' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -74.82 -39.13 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 179.686 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.15 -35.78 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.528 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.14 -46.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.574 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.2 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.789 HD13 ' O ' ' B' ' 344' ' ' LEU . 5.5 mp -71.27 -36.49 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.723 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.66 -30.52 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.38 -46.39 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -63.26 -34.45 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -31.55 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.86 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -86.99 -31.58 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.92 113.88 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 39.0 t -132.57 132.77 42.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 3.9 m-85 -109.49 144.39 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.55 111.82 3.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' D' ' 330' ' ' LEU . 0.7 OUTLIER -96.26 129.62 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 331' ' ' GLY . . . . . 0.423 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -109.51 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.633 ' CD1' HD22 ' C' ' 330' ' ' LEU . 3.7 mp -108.92 153.22 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -122.94 44.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.15 146.84 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -65.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.5 -36.37 75.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.486 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.2 OUTLIER -63.34 -55.81 21.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 17.0 t80 -60.76 -33.58 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.412 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -35.4 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.267 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -66.87 -59.07 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.72 -26.87 67.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -74.48 -43.53 55.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.9 -29.84 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.326 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -73.89 -33.93 64.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.569 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.69 -43.86 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.704 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.433 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.6 tp10 -70.78 -31.39 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -71.12 -35.56 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.683 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.88 -30.66 71.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.433 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.6 mm? -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -65.36 -30.76 71.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.78 -31.36 64.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.07 -34.13 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -31.01 20.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' C' ' 351' ' ' LYS . . . -59.58 -30.94 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.797 0.332 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 34.0 t -93.35 118.44 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 13.3 m-85 -106.45 123.53 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.89 140.46 15.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.899 HD12 HD11 ' D' ' 332' ' ' ILE . 2.1 pt? -141.35 152.62 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.36 93.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.899 HD11 HD12 ' D' ' 330' ' ' LEU . 29.7 mm -94.7 118.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.106 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -99.49 74.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.11 127.77 1.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -71.38 -47.88 53.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.0 -46.48 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -51.2 71.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.427 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 32.3 t80 -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.71 -38.73 86.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -64.54 -55.17 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.1 m-85 -59.68 -27.94 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.98 -45.61 49.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.57 -31.9 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.783 ' O ' HD23 ' D' ' 348' ' ' LEU . 45.2 mt -72.09 -32.39 66.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.89 -42.27 73.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -30.83 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.06 -34.65 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.783 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.8 mm? -71.44 -35.27 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.41 -28.09 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -41.2 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.682 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -69.95 -30.74 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.57 -31.46 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.94 51.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -33.8 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.14 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.489 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.858 0.361 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 23.0 p -155.31 152.75 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -152.91 131.57 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.55 126.32 7.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.872 HD23 HD11 ' A' ' 332' ' ' ILE . 17.4 tp -111.18 112.21 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -91.29 82.83 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.872 HD11 HD23 ' A' ' 330' ' ' LEU . 3.7 mp -86.68 145.45 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -114.72 39.52 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.71 136.69 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -77.29 -33.47 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.62 -55.32 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.495 ' HG3' HG21 ' A' ' 332' ' ' ILE . 8.2 ptp180 -58.17 -42.67 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.592 ' CD2' HD13 ' A' ' 332' ' ' ILE . 28.4 t80 -63.9 -36.24 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.47 -38.57 87.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.618 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -53.68 44.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.407 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 2.8 m-85 -59.67 -29.78 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -71.06 -46.61 61.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.898 HD11 HD21 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -73.81 -35.63 64.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.6 -38.41 80.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -68.21 -40.26 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -67.3 -42.68 83.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.14 -28.03 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.66 HD23 ' CD ' ' D' ' 354' ' ' GLN . 4.2 mp -70.13 -48.54 57.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -62.85 -30.69 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.75 -33.67 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.56 -32.64 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -31.32 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.98 166.19 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.492 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.84 0.352 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.4 t -132.25 152.83 51.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -143.4 134.93 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.89 122.3 7.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.55 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.616 HD23 ' N ' ' B' ' 331' ' ' GLY . 1.5 tt -108.54 138.71 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 331' ' ' GLY . . . . . 0.616 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -100.52 104.14 2.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' B' ' 337' ' ' ARG . 3.8 mp -108.78 127.01 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -106.5 31.36 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.593 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -141.61 131.08 4.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -62.95 -54.96 30.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -64.37 -37.47 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.636 ' HD2' HG23 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -63.14 -55.91 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.729 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.582 ' CD1' HD13 ' B' ' 332' ' ' ILE . 16.6 t80 -60.6 -31.77 70.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.64 -36.08 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttm -66.95 -56.04 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -27.24 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.68 -45.64 51.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.51 -31.08 66.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.857 HD11 HD21 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -72.54 -32.99 66.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.533 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 332' ' ' ILE . 3.0 t30 -69.28 -43.78 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.767 ' O ' HD23 ' B' ' 350' ' ' LEU . 12.7 pt-20 -70.73 -32.26 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -31.38 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -72.74 -36.48 67.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -67.43 -31.27 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.767 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -67.5 -39.63 85.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 30.9 mtpt -60.43 -31.26 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -63.94 -37.3 86.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.53 97.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.86 -36.51 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.48 82.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.807 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m 61.65 153.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -153.63 151.69 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -142.34 139.41 9.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' D' ' 338' ' ' PHE . 1.4 pt? -135.27 152.34 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.91 127.36 9.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.496 HD11 ' HG ' ' C' ' 330' ' ' LEU . 3.9 mp -122.7 147.18 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -118.21 78.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.67 144.99 4.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -75.22 -46.98 30.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.63 -32.07 73.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.487 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -65.96 -59.75 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.595 ' CE2' HD13 ' D' ' 330' ' ' LEU . 16.6 t80 -62.44 -30.69 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.249 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.87 -33.1 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.195 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -68.15 -58.93 3.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -63.69 -26.39 68.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -77.05 -38.43 52.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.523 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.55 -31.23 57.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.857 HD21 HD11 ' B' ' 344' ' ' LEU . 1.5 tp -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.557 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -73.31 -44.76 58.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.03 -34.13 68.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -75.42 -30.74 60.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.658 HD12 ' O ' ' C' ' 344' ' ' LEU . 5.5 mt -72.84 -33.62 66.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -66.32 -30.9 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.77 -47.01 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.85 -31.62 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -31.5 66.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.41 -31.19 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -93.38 -40.24 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.93 105.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.498 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' D' ' 328' ' ' PHE . 2.7 mp0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 78.3 p -92.2 152.87 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' D' ' 326' ' ' GLU . 17.2 m-85 -141.41 140.32 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.82 120.49 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 1.06 HD23 HD11 ' D' ' 332' ' ' ILE . 19.9 tp -108.44 132.77 53.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -118.74 82.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 1.06 HD11 HD23 ' D' ' 330' ' ' LEU . 3.7 mp -83.36 146.96 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -114.93 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.82 148.15 6.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -77.81 -63.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.94 -35.86 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.649 ' CD ' HD13 ' C' ' 348' ' ' LEU . 3.3 tpp180 -63.71 -56.61 14.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' C' ' 330' ' ' LEU . 30.7 t80 -59.64 -32.46 70.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.312 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.466 ' O ' HD12 ' D' ' 344' ' ' LEU . 13.3 ttm -66.26 -59.91 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.164 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD23 ' C' ' 344' ' ' LEU . 4.1 m-85 -62.3 -24.98 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -77.43 -37.49 51.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.54 -29.58 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.898 HD21 HD11 ' A' ' 344' ' ' LEU . 1.1 mp -76.4 -32.12 58.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.669 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.12 -40.21 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.25 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.34 -31.23 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.96 -24.1 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -82.08 -32.86 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.719 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.5 pp -79.58 -29.09 41.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.719 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -80.78 -30.32 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.699 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.44 -29.69 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.89 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.66 ' CD ' HD23 ' A' ' 350' ' ' LEU . 9.8 pt20 -82.8 -31.63 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.65 83.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.499 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 22.6 t -137.65 143.91 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -121.88 109.55 14.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.55 142.04 15.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.853 ' CD1' HD11 ' A' ' 332' ' ' ILE . 1.4 pt? -136.35 141.21 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.91 106.15 2.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.853 HD11 ' CD1' ' A' ' 330' ' ' LEU . 3.5 mp -101.64 137.21 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -135.94 123.48 2.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -67.69 -34.75 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -46.97 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.464 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -60.3 -52.91 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.39 -32.28 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.6 -37.53 87.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.1 ttp -65.36 -55.32 18.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.01 -26.39 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -45.39 64.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.864 0.364 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.63 -30.32 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.089 HD21 HD22 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -75.03 -39.67 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.67 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -71.26 -34.85 71.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.17 -36.27 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -33.49 63.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.572 HD12 ' HD3' ' B' ' 337' ' ' ARG . 25.0 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -71.15 -30.57 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.63 -35.79 81.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 0.0 OUTLIER -65.04 -31.87 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.4 -32.75 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.86 78.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -75.64 -32.16 60.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -86.92 -173.31 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.516 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' B' ' 328' ' ' PHE . 3.7 tp10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.5 m -67.89 150.06 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' B' ' 326' ' ' GLU . 33.6 m-85 -133.57 147.16 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.81 141.71 15.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 1.019 HD22 HD11 ' B' ' 332' ' ' ILE . 0.9 OUTLIER -132.8 122.67 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.16 118.42 5.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 1.019 HD11 HD22 ' B' ' 330' ' ' LEU . 3.7 mp -129.86 138.95 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -100.65 31.41 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.475 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -130.78 112.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -33.68 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.28 -52.08 15.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.572 ' HD3' HD12 ' A' ' 348' ' ' LEU . 6.6 ttm180 -58.23 -48.94 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.694 ' CE2' HD22 ' A' ' 330' ' ' LEU . 16.5 t80 -61.53 -34.01 74.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.597 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.64 -38.17 86.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.474 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -65.36 -57.08 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.342 179.537 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.426 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.9 m-85 -60.43 -26.93 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -71.73 -41.44 68.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.548 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -30.74 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.483 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.877 HD21 HD21 ' C' ' 344' ' ' LEU . 1.2 mp -74.99 -31.99 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.688 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.41 ' OD1' HG23 ' A' ' 332' ' ' ILE . 10.8 t30 -73.34 -40.25 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.95 -31.94 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.464 HD13 ' HG2' ' A' ' 337' ' ' ARG . 37.8 mt -76.67 -28.65 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -30.33 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.22 -35.03 79.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 23.7 mttt -60.55 -33.83 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.44 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.82 94.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.28 -178.03 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 18.3 t -79.08 152.78 30.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.438 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 16.7 m-85 -133.27 147.13 51.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.82 120.46 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.458 HD23 ' CE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -101.05 110.18 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.98 117.41 5.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.495 HD11 HD12 ' D' ' 330' ' ' LEU . 18.0 mt -129.61 136.97 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -31.04 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -87.16 137.39 14.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -70.21 -38.17 75.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.66 -53.2 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' C' ' 342' ' ' ARG . 19.6 t80 -60.04 -31.54 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.83 -38.55 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -65.51 -56.85 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.663 ' HB2' HD11 ' D' ' 330' ' ' LEU . 4.5 m-85 -60.68 -27.05 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.773 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.434 ' HD2' ' CE1' ' C' ' 338' ' ' PHE . 1.7 tpm_? -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.542 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.39 -31.89 60.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.486 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.877 HD21 HD21 ' B' ' 344' ' ' LEU . 1.5 mp -75.4 -32.63 60.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.54 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.57 -40.02 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.69 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.556 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.2 mm-40 -71.32 -38.04 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.694 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.461 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -71.23 -31.51 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.478 HD13 ' HD3' ' C' ' 351' ' ' LYS . 1.2 mm? -71.57 -35.93 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.47 -31.37 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.556 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.3 mp -67.2 -42.21 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.478 ' HD3' HD13 ' C' ' 348' ' ' LEU . 11.6 mtpt -59.85 -34.52 73.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -64.17 -38.85 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.22 -31.27 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.48 84.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.534 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 22.9 t 62.22 150.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -152.92 150.69 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.49 127.65 9.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' C' ' 341' ' ' PHE . 0.6 OUTLIER -107.22 118.35 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.78 101.31 2.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.637 HD11 HD22 ' D' ' 330' ' ' LEU . 3.1 mp -109.22 139.27 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.05 31.25 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.594 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.09 141.96 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -78.17 -36.56 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.46 -49.62 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.9 ttm105 -59.32 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.621 ' HD1' HD13 ' D' ' 332' ' ' ILE . 35.9 t80 -62.43 -33.46 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.3 -36.79 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -65.85 -55.55 16.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.4 m-85 -59.03 -25.61 63.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -45.26 63.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.599 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -71.2 -31.81 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 1.089 HD22 HD21 ' A' ' 344' ' ' LEU . 64.4 mt -73.68 -30.98 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.47 -40.65 70.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.99 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.684 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -68.23 -31.8 71.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.821 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.7 mm? -68.39 -41.64 80.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -24.54 60.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' D' ' 350' ' ' LEU . 8.7 tp -75.21 -36.97 61.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -29.74 64.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.21 -33.21 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.86 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -32.07 65.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -136.18 101.24 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.478 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 20.5 p -82.24 152.82 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.0 m-85 -131.9 137.85 48.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.23 125.61 8.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.8 OUTLIER -114.79 114.68 25.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.34 82.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.744 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.5 mm -80.58 108.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 84.69 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.54 142.82 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -77.27 -36.14 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -48.02 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.726 ' HG3' HD13 ' B' ' 348' ' ' LEU . 8.4 ttm180 -59.54 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' B' ' 330' ' ' LEU . 36.5 t80 -61.23 -32.62 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.51 -37.87 87.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.486 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -57.02 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.324 179.559 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' B' ' 330' ' ' LEU . 3.5 m-85 -61.64 -26.63 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -72.17 -40.31 68.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.476 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.37 -31.26 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.879 HD21 HD21 ' D' ' 344' ' ' LEU . 1.4 mp -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -75.46 -39.79 58.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.731 ' O ' HD23 ' A' ' 350' ' ' LEU . 38.1 mt-10 -72.89 -30.68 64.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.727 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.576 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -75.46 -36.31 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.818 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.3 mt -72.15 -31.69 66.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -69.61 -30.71 68.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.78 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.5 mm? -66.41 -43.06 86.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -60.99 -36.51 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.55 80.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -77.66 -31.62 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.46 126.28 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.456 179.981 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 4.0 mp0 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 7.5 p -96.15 152.8 18.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 52.2 m-85 -146.86 129.57 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.08 122.03 5.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.715 HD23 HD11 ' B' ' 332' ' ' ILE . 6.2 tp -106.1 100.97 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -88.51 116.15 4.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.715 HD11 HD23 ' B' ' 330' ' ' LEU . 3.8 mp -125.62 120.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -79.25 -31.24 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -84.76 125.13 7.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -61.49 -47.21 86.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.818 ' CG ' HD13 ' A' ' 348' ' ' LEU . 9.3 mtm180 -59.74 -51.71 68.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.0 t80 -60.04 -33.62 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.67 -39.56 91.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -64.45 -55.38 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.2 m-85 -59.13 -25.58 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.002 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -41.75 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.584 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -74.99 -31.25 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.716 ' O ' HD12 ' B' ' 348' ' ' LEU . 28.4 mt -76.26 -30.31 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -74.33 -38.02 63.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -74.83 -32.57 61.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.451 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -76.68 -31.16 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.7 OUTLIER -76.03 -32.61 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.898 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -30.32 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.46 75.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.13 -35.46 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.23 -31.72 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.2 -37.16 80.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -77.38 -176.21 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.473 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 93.7 p -92.16 152.12 20.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.404 ' CE2' ' O ' ' C' ' 326' ' ' GLU . 13.8 m-85 -134.36 141.79 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.81 121.35 6.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.679 HD22 HG13 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -105.54 135.04 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.76 84.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.679 HG13 HD22 ' C' ' 330' ' ' LEU . 3.9 mt -89.33 120.5 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.21 86.5 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.41 142.66 3.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.32 -60.93 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -60.2 -39.02 85.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 1.6 tpp180 -62.23 -54.57 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 15.7 t80 -60.35 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.343 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.22 -58.17 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.295 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.495 ' HE1' HD22 ' D' ' 344' ' ' LEU . 4.0 m-85 -60.59 -27.39 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -74.97 -44.97 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.515 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.74 -32.01 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.645 HD22 HD22 ' B' ' 344' ' ' LEU . 62.2 mt -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.38 -45.99 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.68 -38.96 87.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.725 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.94 -31.87 71.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -38.72 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.682 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.54 -31.1 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.43 -41.33 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 7.9 mmtp -58.51 -30.88 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.61 -31.5 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.35 -45.18 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.18 -34.68 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.43 133.11 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.0 t 60.67 110.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.5 m-85 -116.74 146.7 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.65 126.3 8.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.748 HD23 HD11 ' D' ' 332' ' ' ILE . 32.2 tp -108.66 143.1 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.32 82.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.748 HD11 HD23 ' D' ' 330' ' ' LEU . 3.7 mp -100.84 115.83 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.43 34.03 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.455 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.38 125.62 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.03 -36.02 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -73.4 -51.58 16.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -58.41 -49.86 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' C' ' 330' ' ' LEU . 19.7 t80 -61.42 -33.41 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.22 -37.72 86.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.451 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -56.68 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.3 m-85 -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.22 -42.67 71.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.82 -30.2 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.879 HD21 HD21 ' A' ' 344' ' ' LEU . 1.8 mp -74.23 -36.49 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.654 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -39.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.12 -24.09 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -82.06 -33.35 29.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.862 HD12 ' N ' ' D' ' 349' ' ' GLU . 4.0 pp -77.33 -31.0 54.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.805 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 349' ' ' GLU . . . . . 0.862 ' N ' HD12 ' D' ' 348' ' ' LEU . 12.8 pt-20 -74.35 -27.56 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.638 179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -33.5 74.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.576 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 19.8 mttm -61.08 -33.38 73.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -61.76 -51.1 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -79.27 -46.46 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.13 -65.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.49 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.432 ' HG2' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.185 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 4.1 t -69.59 122.52 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' A' ' 326' ' ' GLU . 24.7 m-85 -107.99 152.33 24.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.34 132.97 11.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.594 HD22 HG13 ' A' ' 332' ' ' ILE . 0.8 OUTLIER -116.5 135.9 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.346 . . . . 0.0 110.904 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -92.66 82.55 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.594 HG13 HD22 ' A' ' 330' ' ' LEU . 4.8 mt -93.59 112.77 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -92.24 80.24 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.85 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -32.92 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.66 -50.36 17.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.511 ' CD ' HD13 ' B' ' 348' ' ' LEU . 3.6 ttm105 -59.15 -51.48 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.734 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.677 ' CE2' HD12 ' B' ' 330' ' ' LEU . 44.0 t80 -61.86 -32.38 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.0 ttm -66.28 -56.65 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 5.3 m-85 -60.8 -27.73 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.693 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -74.77 -43.97 52.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 -32.03 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.769 HD21 HD11 ' D' ' 344' ' ' LEU . 0.8 OUTLIER -70.43 -40.49 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.592 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.64 -40.12 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.659 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.34 -45.09 89.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.12 -31.62 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.812 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.456 HD22 ' HG2' ' B' ' 337' ' ' ARG . 1.1 mp -66.14 -49.56 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.13 -30.61 71.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.41 -43.4 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -66.38 -30.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.17 -31.33 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.53 59.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.53 -37.07 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.96 175.4 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.9 t 60.9 111.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -138.47 143.96 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.37 137.58 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.677 HD12 ' CE2' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -125.67 125.92 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.44 99.97 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.62 HD11 HD22 ' B' ' 330' ' ' LEU . 4.0 mp -107.26 124.53 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -83.38 77.47 9.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 117.59 0.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -45.27 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.88 -49.28 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.456 ' HG2' HD22 ' A' ' 348' ' ' LEU . 1.5 tpp180 -59.41 -50.95 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.787 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 16.5 t80 -62.29 -33.08 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.453 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.44 -37.1 84.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.38 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.2 -58.27 6.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.261 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.655 ' HE1' HD22 ' A' ' 344' ' ' LEU . 5.0 m-85 -59.87 -28.02 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.567 ' HA ' HD11 ' A' ' 330' ' ' LEU . 3.6 ttt180 -73.51 -42.5 61.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.94 -31.35 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.644 HD13 HD11 ' C' ' 344' ' ' LEU . 44.0 mt -70.85 -34.69 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.533 ' OD1' HG23 ' A' ' 332' ' ' ILE . 0.4 OUTLIER -70.14 -44.89 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.12 -30.5 66.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.755 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.476 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -76.5 -34.31 58.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.518 HD23 ' HE3' ' B' ' 351' ' ' LYS . 0.5 OUTLIER -73.29 -30.05 63.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.881 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.5 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -41.58 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.568 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 5.0 ptpt -69.93 -29.24 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.9 -31.42 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.64 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.33 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.62 33.71 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 4.6 t -139.02 149.74 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -152.72 112.93 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.89 114.84 4.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.711 HD22 HG13 ' C' ' 332' ' ' ILE . 0.7 OUTLIER -99.7 132.16 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.943 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.67 83.25 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.711 HG13 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -91.22 115.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -92.32 76.68 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.78 143.84 6.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -78.36 -48.49 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.22 -43.51 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.64 ' HG3' HD13 ' D' ' 348' ' ' LEU . 2.2 ttm180 -61.23 -53.79 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 16.4 t80 -61.26 -31.74 71.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.27 -36.14 83.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.8 mtp -67.4 -56.28 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.7 m-85 -62.88 -25.46 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -76.98 -41.69 41.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.59 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.01 -30.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.644 HD11 HD13 ' B' ' 344' ' ' LEU . 2.0 tp -75.42 -29.87 59.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -74.57 -40.9 61.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.572 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.3 OUTLIER -72.02 -34.54 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.568 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -74.94 -34.17 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.536 HD13 ' CG ' ' D' ' 337' ' ' ARG . 11.8 mt -72.45 -29.98 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.72 -30.76 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.572 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.1 mm? -62.89 -37.01 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 15.8 mttt -58.19 -35.97 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.58 -41.09 89.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.3 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -79.87 -32.79 40.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.1 84.07 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.535 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 25.2 t 60.26 92.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 9.8 m-85 -105.29 123.81 48.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.27 141.8 17.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' D' ' 332' ' ' ILE . 0.8 OUTLIER -140.07 132.55 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 331' ' ' GLY . . . . . 0.481 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -97.4 82.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' D' ' 330' ' ' LEU . 3.8 mp -89.64 110.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -83.9 77.26 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.35 114.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.82 -37.47 82.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.45 -47.25 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.536 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.72 -51.62 69.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.894 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 17.0 t80 -60.65 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.62 -37.76 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.11 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 179.507 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.405 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.57 -26.67 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -71.38 -44.9 64.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -29.52 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.769 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -73.52 -36.9 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.628 179.709 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.07 -39.37 82.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.753 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' HD23 ' D' ' 350' ' ' LEU . 5.6 mm-40 -70.14 -39.01 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -70.86 -31.12 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.64 HD13 ' HG3' ' C' ' 337' ' ' ARG . 1.5 mt -75.49 -29.57 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.8 -31.13 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.486 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.9 mm? -74.89 -42.82 57.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -29.07 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.59 -31.2 52.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.09 62.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.62 -31.48 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.55 85.17 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.494 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 17.5 t -130.26 151.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 13.8 m-85 -147.64 138.32 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.4 139.09 14.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.822 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.1 tt -128.4 127.02 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -95.63 82.14 0.84 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.822 ' CD1' HD22 ' A' ' 330' ' ' LEU . 25.4 mm -77.55 123.67 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 36.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.442 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.42 135.54 7.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -67.36 -66.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.27 -36.48 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.542 ' HG3' HD13 ' B' ' 348' ' ' LEU . 11.6 ttm180 -62.7 -55.25 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' B' ' 330' ' ' LEU . 74.2 t80 -59.95 -36.0 76.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.26 -35.42 77.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -66.4 -57.28 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.423 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.59 -27.54 68.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -41.16 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.38 -30.35 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.753 ' O ' HD12 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -74.18 -32.27 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.75 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.48 -41.47 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.67 -32.0 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.769 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.69 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.9 OUTLIER -76.09 -28.73 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.46 -29.56 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.781 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.24 -34.62 76.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -62.4 -31.44 72.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -31.47 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.06 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.53 -31.7 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.79 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.529 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 11.7 p 59.42 108.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -113.11 142.0 46.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.05 115.9 4.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.799 HD12 ' CE2' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -107.16 135.56 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.41 86.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.606 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -88.93 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -124.29 74.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 159.5 146.52 4.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -76.7 -45.3 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -61.4 -45.91 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.693 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.85 -53.85 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 179.844 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 15.7 t80 -62.11 -31.82 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.404 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.29 -36.5 83.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.361 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -66.68 -58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.275 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.457 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 3.5 m-85 -63.22 -25.86 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -76.73 -38.51 54.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.562 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.3 -30.3 57.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.84 ' CD1' HD11 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -75.23 -30.93 60.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.765 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -74.6 -41.82 59.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.72 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 350' ' ' LEU . 41.7 tt0 -70.76 -31.78 68.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.29 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 337' ' ' ARG . 8.0 mt -70.56 -31.88 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.664 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -31.07 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.652 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -64.74 -45.08 87.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.471 ' HE2' ' HB2' ' C' ' 347' ' ' ALA . 10.5 ttmm -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -32.78 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -66.57 -33.38 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 110.9 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.531 179.992 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.853 0.358 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.9 m 61.16 112.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -125.74 142.62 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.3 123.16 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.626 HD22 HD11 ' C' ' 332' ' ' ILE . 3.4 tt -109.14 135.92 49.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.06 115.4 5.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.659 HG21 ' HB2' ' C' ' 338' ' ' PHE . 3.7 mp -121.84 129.82 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -111.08 33.04 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.571 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -150.0 140.81 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -77.63 -41.64 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.49 -48.39 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 6.6 ttm180 -59.2 -50.82 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.659 ' HB2' HG21 ' C' ' 332' ' ' ILE . 21.7 t80 -60.53 -31.33 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.648 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -40.34 97.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 27.8 mtm -64.25 -54.28 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -58.75 -28.01 65.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -73.72 -49.79 23.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.557 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -30.97 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.994 HD12 HD11 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -69.47 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.471 179.543 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.36 -38.61 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.766 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.616 ' O ' HD23 ' C' ' 350' ' ' LEU . 7.8 tt0 -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.724 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.471 ' HB2' ' HE2' ' B' ' 351' ' ' LYS . . . -74.63 -30.23 61.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 179.826 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.994 HD11 HD12 ' C' ' 344' ' ' LEU . 9.3 mt -76.26 -28.95 57.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.29 -29.53 62.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.616 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.0 mm? -74.37 -45.34 47.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -28.53 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.96 -30.99 44.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.45 -31.18 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -83.98 -33.54 24.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.15 158.35 31.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.491 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.786 0.327 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.28 109.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.46 144.85 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.01 137.48 13.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.696 HD22 HG13 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -119.77 122.5 41.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.15 82.93 0.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.696 HG13 HD22 ' D' ' 330' ' ' LEU . 4.6 mt -84.61 126.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.067 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 33.48 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.553 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -146.83 143.11 11.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -77.35 -42.56 36.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.61 ' HG2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.74 -51.81 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.48 ' HA ' HD13 ' D' ' 332' ' ' ILE . 17.1 t80 -59.3 -33.08 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -41.02 96.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 mtm -65.69 -55.98 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.288 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -63.24 -26.05 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -76.65 -42.28 42.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.562 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -31.98 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.753 ' CG ' HD21 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.26 -31.1 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.607 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.66 -43.22 66.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.47 -34.93 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.52 -29.47 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.491 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.4 mm? -73.17 -37.71 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.79 -28.3 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.81 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.43 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -74.26 -29.35 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.11 -30.71 55.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.77 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -33.63 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.99 140.57 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.12 112.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.9 m-85 -128.31 137.65 52.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.55 103.19 2.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.412 ' HG ' HD11 ' A' ' 332' ' ' ILE . 15.7 tp -88.87 123.49 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.33 3.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.645 HD13 ' CD2' ' B' ' 330' ' ' LEU . 3.5 mp -120.37 153.57 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -134.63 50.61 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.46 19.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -60.61 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -37.73 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.3 OUTLIER -63.36 -56.83 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' CB ' ' B' ' 328' ' ' PHE . 23.0 t80 -60.83 -31.62 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.39 -36.82 83.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.4 mtm -66.25 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.022 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.8 m-85 -60.1 -23.73 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -73.35 -42.95 61.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.384 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.45 -32.04 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.012 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.5 -33.68 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.559 ' ND2' ' CZ ' ' B' ' 341' ' ' PHE . 1.0 OUTLIER -68.83 -43.28 75.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -72.72 -31.71 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.86 52.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -76.29 -30.08 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -72.72 -31.04 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.9 -36.72 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -61.45 -35.15 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -40.54 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.27 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.0 -31.85 61.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.96 161.6 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.62 101.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.443 ' CB ' ' CD1' ' A' ' 338' ' ' PHE . 22.1 m-85 -110.71 145.46 37.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -133.72 144.39 16.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.645 ' CD2' HD13 ' A' ' 332' ' ' ILE . 1.9 pt? -144.08 134.65 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.04 9.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.707 HG21 ' HD2' ' B' ' 337' ' ' ARG . 3.7 mp -127.29 140.07 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -98.8 31.14 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.438 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -125.01 135.85 9.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -78.19 -38.77 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -72.01 -49.66 35.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.707 ' HD2' HG21 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -59.41 -52.24 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.728 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 40.0 t80 -61.78 -33.02 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -38.02 88.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.542 179.638 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -64.8 -55.84 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.559 ' CZ ' ' ND2' ' A' ' 345' ' ' ASN . 5.3 m-85 -59.25 -25.36 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.052 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -72.71 -31.05 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.549 ' CD2' HD22 ' C' ' 344' ' ' LEU . 14.3 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.714 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -74.39 -42.76 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.56 -31.38 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 344' ' ' LEU . 1.9 mm? -74.65 -33.39 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.07 -31.35 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.608 HD12 ' NE2' ' B' ' 354' ' ' GLN . 0.1 OUTLIER -66.05 -34.4 77.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 16.3 mttt -61.67 -35.83 79.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.63 -38.66 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.85 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.608 ' NE2' HD12 ' B' ' 350' ' ' LEU . 1.3 mt-30 -74.97 -31.57 61.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.37 37.78 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.5 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 27.4 p -102.73 136.11 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -105.97 97.68 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.26 153.49 26.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.823 HD22 ' CE2' ' D' ' 338' ' ' PHE . 1.5 pt? -157.96 152.59 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.23 84.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.446 HG13 HD12 ' C' ' 330' ' ' LEU . 2.8 mp -75.79 126.5 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -94.0 147.24 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.26 136.53 6.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -75.06 -30.63 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.27 -49.16 36.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.497 ' CG ' HD23 ' D' ' 348' ' ' LEU . 0.4 OUTLIER -59.27 -51.63 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 179.914 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -62.25 -35.17 78.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.44 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.0 -35.48 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -65.95 -57.85 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.297 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -59.07 -23.5 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.583 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.83 -29.72 61.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.549 HD22 ' CD2' ' B' ' 344' ' ' LEU . 89.2 mt -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -75.26 -42.68 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.03 -30.73 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.766 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.451 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -78.86 -30.95 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.683 HD13 ' CG ' ' D' ' 337' ' ' ARG . 7.3 mt -76.84 -29.67 56.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -73.15 -30.82 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.23 -36.0 78.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.81 -36.92 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.79 -31.55 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.79 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.56 -49.86 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.79 84.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.527 -179.985 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.438 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 3.5 mm-40 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.1 p -91.96 141.51 28.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 25.1 m-85 -141.36 118.2 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.79 165.01 53.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.729 HD13 HD11 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -155.34 135.8 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 331' ' ' GLY . . . . . 0.433 ' H ' HD23 ' D' ' 330' ' ' LEU . . . -111.81 90.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.729 HD11 HD13 ' D' ' 330' ' ' LEU . 4.7 mt -104.37 128.46 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -95.18 71.22 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.35 134.42 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -77.26 -31.65 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -71.21 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.683 ' CG ' HD13 ' C' ' 348' ' ' LEU . 31.7 mtm-85 -58.24 -42.04 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.823 ' CE2' HD22 ' C' ' 330' ' ' LEU . 15.9 t80 -67.98 -30.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.414 ' HA ' ' CG ' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.562 ' O ' HD12 ' D' ' 344' ' ' LEU . 3.1 mtp -73.45 -51.0 18.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.382 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.524 ' HD1' HD13 ' D' ' 332' ' ' ILE . 2.0 m-85 -67.09 -29.45 69.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.41 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' D' ' 339' ' ' GLU . 4.2 ppt_? -83.27 -34.3 25.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.865 0.364 . . . . 0.0 110.387 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.89 -30.54 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.255 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 1.012 HD21 HD21 ' A' ' 344' ' ' LEU . 6.3 mt -76.4 -37.21 57.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -70.09 -38.42 75.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.5 -42.22 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.42 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.768 179.577 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.799 HD13 ' O ' ' D' ' 344' ' ' LEU . 5.6 mp -77.3 -25.53 51.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -79.83 -35.21 38.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.764 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.4 pp -77.82 -31.64 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.764 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -78.33 -28.24 47.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.746 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.75 -30.61 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -69.67 -46.74 65.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.02 98.26 10.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.494 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.823 0.344 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m 62.74 147.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -153.22 152.59 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.33 143.09 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.826 ' CD1' HD11 ' A' ' 332' ' ' ILE . 1.1 pt? -136.45 151.71 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -121.45 86.48 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.826 HD11 ' CD1' ' A' ' 330' ' ' LEU . 3.7 mp -74.68 144.82 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -98.61 34.25 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.35 119.97 1.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.46 -34.83 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -71.89 -49.33 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.663 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.13 -50.9 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.784 ' CE1' HD23 ' B' ' 330' ' ' LEU . 17.4 t80 -60.39 -32.17 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -62.58 -40.08 95.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.412 ' O ' HD12 ' A' ' 344' ' ' LEU . 9.0 mtm -66.06 -55.95 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.286 179.509 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.31 -25.69 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -73.69 -41.05 63.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.593 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -74.37 -31.77 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.51 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.786 ' O ' HD12 ' A' ' 348' ' ' LEU . 1.4 mp -74.61 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.679 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.552 ' ND2' ' CE2' ' B' ' 341' ' ' PHE . 11.7 m-80 -71.43 -39.32 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.6 -35.9 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.21 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.09 -30.83 58.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.2 -31.43 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.799 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.23 -33.81 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.562 ' CE ' ' HB2' ' D' ' 347' ' ' ALA . 5.2 mtpm? -61.63 -34.04 74.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.23 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.38 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -75.35 -33.68 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.1 160.02 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.518 -179.982 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.838 0.351 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 t 60.89 111.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 15.6 m-85 -122.89 147.64 46.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.63 133.42 6.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.784 HD23 ' CE1' ' A' ' 338' ' ' PHE . 3.8 pp -135.2 149.11 49.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.14 157.12 20.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' B' ' 330' ' ' LEU . 3.8 mp -143.49 135.74 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.62 34.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.75 129.74 2.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -69.91 -32.49 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.71 -47.02 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 348' ' ' LEU . 10.6 mtm180 -59.79 -51.69 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.748 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.728 ' CE1' HD22 ' A' ' 330' ' ' LEU . 17.5 t80 -60.43 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.647 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.86 -38.68 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.515 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -65.78 -55.95 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.413 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.552 ' CE2' ' ND2' ' A' ' 345' ' ' ASN . 3.2 m-85 -61.22 -25.7 67.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -75.98 -45.78 33.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.54 -30.19 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.438 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.778 HD21 ' HG ' ' C' ' 344' ' ' LEU . 2.3 mt -73.76 -31.0 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.618 179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.406 ' OD1' HG23 ' A' ' 332' ' ' ILE . 0.7 OUTLIER -72.03 -44.04 64.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.74 179.848 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.48 -32.33 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.45 56.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.663 HD13 ' HG2' ' A' ' 337' ' ' ARG . 8.5 mt -75.05 -32.45 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.781 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.7 -30.63 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.438 HD12 HE22 ' B' ' 354' ' ' GLN . 0.2 OUTLIER -67.68 -36.47 80.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.444 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 11.8 mtpt -64.57 -31.87 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.85 -35.84 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -35.31 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.438 HE22 HD12 ' B' ' 350' ' ' LEU . 2.4 mp0 -75.94 -41.25 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.3 80.3 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.82 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 44.8 t -142.94 151.04 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.3 m-85 -142.2 143.95 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.85 134.5 12.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -105.22 105.74 15.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.89 2.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.528 HD13 ' HE2' ' C' ' 341' ' ' PHE . 23.7 mt -132.1 148.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -105.53 36.41 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.51 131.86 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -77.42 -36.56 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.56 -54.81 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -57.83 -47.45 82.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.76 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 74.9 t80 -62.45 -34.66 77.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 179.726 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -60.91 -38.71 86.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.432 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.4 ttp -64.67 -55.99 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.528 ' HE2' HD13 ' C' ' 332' ' ' ILE . 3.8 m-85 -60.94 -28.9 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.02 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -75.65 -42.79 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -31.59 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.778 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.41 -33.4 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.712 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -73.6 -42.97 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.41 -31.39 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.89 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.626 HD13 ' HD3' ' D' ' 337' ' ' ARG . 6.0 mt -75.86 -31.41 59.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.34 -30.72 65.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.9 -41.26 71.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -63.95 -31.42 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.15 -32.78 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.69 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -91.08 -34.41 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.95 101.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.515 -179.971 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.363 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.52 102.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 26.1 m-85 -109.39 147.93 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -114.92 142.27 17.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.95 137.46 47.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.1 82.5 0.37 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.516 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -86.96 117.74 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -94.91 76.83 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.94 133.76 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -71.09 -35.55 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.39 -49.69 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.626 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.15 -50.92 72.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 50.5 t80 -60.67 -32.19 71.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.33 -39.11 91.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -56.92 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 2.9 m-85 -62.41 -26.97 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.761 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -76.54 -43.17 40.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.565 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -71.72 -31.67 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.778 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -71.61 -35.0 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.679 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.93 -43.4 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.17 -31.17 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.562 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -74.21 -31.67 62.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.7 mm? -72.67 -38.37 67.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.3 -28.96 66.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.88 -43.78 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.757 ' HD3' HD13 ' D' ' 348' ' ' LEU . 10.3 ptmt -70.35 -30.8 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.55 -31.44 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.35 67.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.27 -36.08 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.65 124.89 32.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.509 179.987 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 21.4 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.871 0.367 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.43 151.11 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 15.4 m-85 -137.7 122.39 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.57 116.05 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.486 HD22 HG13 ' A' ' 332' ' ' ILE . 1.1 tt -106.37 122.43 46.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.486 HG13 HD22 ' A' ' 330' ' ' LEU . 4.5 mt -87.73 133.64 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -116.44 77.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.07 140.22 3.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -73.62 -64.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -59.95 -36.28 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.562 ' HG3' HD22 ' B' ' 348' ' ' LEU . 7.9 ttm180 -63.86 -56.48 15.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 19.2 t80 -60.13 -31.07 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.04 -36.55 84.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.454 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.03 -57.35 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -63.02 -26.1 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -77.41 -41.91 38.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.45 -29.81 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.688 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.54 -34.12 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.681 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -71.33 -39.36 71.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 350' ' ' LEU . 4.9 tp10 -71.88 -38.0 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.5 -31.75 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.656 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.3 mt -73.88 -30.19 62.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.51 -30.55 68.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.799 179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 346' ' ' GLU . 1.4 mp -64.33 -39.87 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.779 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 19.5 mtpp -59.55 -36.1 75.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.26 -38.76 92.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.75 -31.19 61.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -81.93 -31.57 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -133.86 111.3 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.383 -1.231 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.819 0.343 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.1 p -75.29 109.73 9.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 26.0 m-85 -104.89 152.42 22.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.49 110.63 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.573 HD22 HG13 ' B' ' 332' ' ' ILE . 1.1 tt -101.16 128.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.26 95.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.573 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -99.21 126.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.0 31.96 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.564 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -140.7 129.27 4.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -68.05 -39.45 83.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -71.95 -48.15 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.656 ' CG ' HD13 ' A' ' 348' ' ' LEU . 12.2 mtm180 -59.13 -51.05 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -60.21 -33.18 71.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.82 -38.91 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.503 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.77 -56.52 13.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.5 m-85 -60.4 -28.46 68.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -72.61 -44.2 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.58 -31.07 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.423 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.699 ' CG ' HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -71.67 -36.41 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.656 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -68.34 -43.91 76.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.68 -37.55 67.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.21 -25.16 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 337' ' ' ARG . 15.8 tp -76.61 -35.01 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -72.13 -29.07 63.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.49 -31.75 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.539 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 32.8 mttm -64.83 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -41.53 97.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.1 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 137.19 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.538 179.994 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.435 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 28.5 mt-10 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.829 0.347 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.03 152.82 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.442 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 28.8 m-85 -142.1 136.9 30.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -110.96 144.01 17.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.521 HD23 HD11 ' C' ' 332' ' ' ILE . 6.4 tp -141.26 131.06 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 331' ' ' GLY . . . . . 0.439 ' C ' HD12 ' C' ' 332' ' ' ILE . . . -101.44 131.54 10.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.613 HD12 ' N ' ' C' ' 332' ' ' ILE . 3.0 mp -132.84 144.61 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -108.65 38.26 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.36 11.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -78.18 -46.92 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.05 -41.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.484 ' HG2' HG21 ' C' ' 332' ' ' ILE . 13.2 ttp180 -62.48 -55.43 27.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 38.8 t80 -63.82 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.355 179.612 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -32.91 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.313 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -68.35 -57.65 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 179.538 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.536 ' CE1' ' ND2' ' D' ' 345' ' ' ASN . 2.8 m-85 -63.96 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -76.86 -37.44 55.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.67 -30.77 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.699 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.0 OUTLIER -75.78 -32.54 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 179.74 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -73.87 -38.44 64.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.74 -31.74 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.539 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -78.4 -30.84 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.558 HD13 ' CD ' ' D' ' 337' ' ' ARG . 2.2 mt -77.88 -30.26 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.756 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.75 -28.15 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.82 -40.25 65.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.453 ' NZ ' HD23 ' C' ' 348' ' ' LEU . 1.4 ptpp? -65.66 -29.52 70.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.46 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.26 68.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.16 -35.16 79.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.55 121.3 44.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 40.6 t -131.56 152.89 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.0 m-85 -134.19 136.31 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.99 132.0 10.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.62 109.99 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.91 116.7 5.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.59 151.26 34.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.28 34.8 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.6 122.56 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.09 68.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.42 -48.83 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.558 ' CD ' HD13 ' C' ' 348' ' ' LEU . 7.6 ttm180 -59.54 -51.83 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 23.5 t80 -61.04 -31.61 71.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -63.36 -38.5 91.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttm -65.09 -55.72 17.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.362 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.1 m-85 -58.87 -28.01 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -74.27 -49.02 24.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.73 -30.45 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.357 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -69.88 -41.96 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.556 179.71 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' C' ' 341' ' ' PHE . 23.6 m-80 -61.82 -40.52 95.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.736 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -72.54 -35.01 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.779 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -75.22 -32.05 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.434 HD13 ' HD3' ' C' ' 337' ' ' ARG . 12.7 mt -74.08 -30.71 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -30.79 67.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.97 -35.95 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -35.86 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -40.02 89.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.16 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.05 -38.26 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.61 -169.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 11.2 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.792 0.329 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 28.5 p -77.61 131.56 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 55.5 m-85 -126.68 136.18 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -77.72 146.45 31.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 332' ' ' ILE . 17.0 tp -131.81 141.0 49.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.52 82.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 330' ' ' LEU . 28.7 mm -92.51 134.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.71 31.13 3.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.527 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -134.14 125.21 3.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.25 87.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -49.76 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.6 ttm180 -59.1 -50.8 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 33.8 t80 -61.16 -32.51 72.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.542 179.7 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.7 -39.33 93.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.31 -54.67 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -58.91 -27.57 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HA ' HD11 ' B' ' 330' ' ' LEU . 0.0 OUTLIER -70.22 -45.2 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 179.781 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.79 -31.52 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.839 HD21 HD21 ' D' ' 344' ' ' LEU . 0.5 OUTLIER -72.15 -31.97 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.648 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.48 -44.12 68.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.12 -31.04 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.541 ' HB2' ' HE2' ' D' ' 351' ' ' LYS . . . -75.12 -32.18 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.6 mm? -73.01 -35.51 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.45 -30.82 69.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.89 -41.98 81.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -60.21 -31.63 70.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -31.67 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.51 -39.22 62.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -75.86 -31.92 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.28 86.49 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.483 -179.959 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 m -130.41 152.87 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 5.3 m-85 -137.04 139.31 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.09 134.72 12.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.597 HD23 ' N ' ' B' ' 331' ' ' GLY . 1.4 tt -130.53 139.07 50.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 331' ' ' GLY . . . . . 0.597 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -105.39 90.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.557 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -89.14 125.75 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -98.03 75.84 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.94 129.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -32.75 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.13 -54.34 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.6 ttm180 -58.29 -46.97 85.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.26 -32.35 73.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.506 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttm -65.42 -54.99 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.459 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -74.6 -46.09 40.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -70.88 -31.81 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.853 ' CD1' HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -72.62 -31.22 64.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.656 179.703 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.475 ' CG ' HD12 ' A' ' 332' ' ' ILE . 29.7 t30 -70.67 -43.33 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -70.35 -35.74 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.67 -30.54 64.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.956 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.803 HD23 HD23 ' B' ' 344' ' ' LEU . 1.0 OUTLIER -72.24 -36.37 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.896 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.06 -30.22 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.59 -45.0 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.788 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -69.09 -30.58 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -73.35 -31.28 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.39 -31.15 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -78.75 -38.57 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.46 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.474 -179.994 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.823 0.344 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.8 111.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -132.34 129.3 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.25 122.3 6.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.629 HD22 HG13 ' C' ' 332' ' ' ILE . 1.2 tt -102.74 111.91 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.35 82.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.629 HG13 HD22 ' C' ' 330' ' ' LEU . 4.6 mt -89.97 136.1 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.325 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -123.54 31.28 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.581 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -143.82 144.95 14.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -77.01 -47.18 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -65.64 -41.91 92.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.17 -53.65 54.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.779 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.484 ' CE2' HD12 ' D' ' 330' ' ' LEU . 18.9 t80 -59.59 -31.81 69.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.02 -38.82 92.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.503 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttm -65.04 -55.63 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.5 m-85 -60.56 -28.07 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.693 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.49 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.557 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -37.26 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.853 HD21 ' CD1' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -70.91 -37.14 72.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.469 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -35.75 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.51 -50.89 63.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.536 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.35 -29.12 70.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.68 HD13 ' CG ' ' D' ' 337' ' ' ARG . 2.9 tp -66.13 -39.99 90.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.07 -30.51 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -31.46 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.17 -32.0 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.47 -31.79 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.37 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.63 -170.0 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.537 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.5 m -151.67 111.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -98.82 152.65 19.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -129.05 136.87 9.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.655 HD22 HG13 ' D' ' 332' ' ' ILE . 1.1 tt -126.85 123.93 38.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.15 87.55 0.84 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.655 HG13 HD22 ' D' ' 330' ' ' LEU . 3.8 mp -81.15 131.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.31 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.439 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -137.16 138.6 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -76.43 -52.02 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -44.66 89.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.692 HH12 HD23 ' C' ' 344' ' ' LEU . 0.0 OUTLIER -58.44 -50.79 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' D' ' 342' ' ' ARG . 77.7 t80 -56.97 -37.26 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.09 -42.29 90.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.352 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mtm -64.61 -58.24 6.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.021 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HD3' ' D' ' 337' ' ' ARG . 6.2 m-85 -58.86 -22.65 59.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.468 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -74.56 -47.4 32.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.435 179.539 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.86 -31.46 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.66 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -46.22 67.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.482 ' O ' HD23 ' D' ' 350' ' ' LEU . 12.9 pt-20 -70.46 -31.79 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.839 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.07 60.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.765 HD13 ' HD2' ' D' ' 351' ' ' LYS . 1.2 mm? -72.86 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.24 -30.87 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.482 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.4 mm? -71.03 -48.74 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' D' ' 348' ' ' LEU . 19.3 ptpt -66.81 -29.65 69.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -72.78 -31.47 64.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.91 63.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -76.66 -42.63 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.05 -169.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.524 179.986 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 12.5 m -137.49 152.8 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -147.63 135.37 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.03 120.45 6.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 332' ' ' ILE . 0.7 OUTLIER -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -114.78 101.44 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.91 HD11 HD22 ' A' ' 330' ' ' LEU . 3.9 mp -102.85 146.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.91 77.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.73 3.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -76.96 -33.65 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -47.26 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.609 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -60.11 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 179.864 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.798 ' CE1' HD23 ' B' ' 330' ' ' LEU . 91.3 t80 -60.88 -31.63 71.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -37.17 86.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttm -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.278 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 -23.81 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.546 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -71.39 -41.71 69.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.542 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.29 -31.84 62.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.726 HD11 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.87 -32.02 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.573 179.71 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -71.74 -39.89 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.599 ' O ' HD23 ' A' ' 350' ' ' LEU . 20.5 mt-10 -71.42 -36.54 71.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.1 -33.26 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.89 -31.87 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.57 -31.35 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -66.6 -46.07 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -31.16 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.06 -39.02 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.92 -31.78 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -127.14 124.97 40.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.528 -179.988 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.821 0.344 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 3.6 m 60.99 112.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -121.94 136.46 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.28 149.57 16.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.798 HD23 ' CE1' ' A' ' 338' ' ' PHE . 1.7 pp -143.57 150.01 38.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.72 114.98 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.728 HD11 HD13 ' B' ' 330' ' ' LEU . 26.8 mm -112.86 123.14 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -98.83 33.06 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.524 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -145.3 138.51 7.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -76.81 -35.57 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.61 -47.54 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.2 ttm105 -59.76 -51.38 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.778 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 330' ' ' LEU . 15.8 t80 -62.25 -33.85 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.42 -36.12 82.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -56.52 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.1 m-85 -59.71 -25.72 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -76.34 -48.17 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.457 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.64 -31.76 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.928 HD11 HD21 ' C' ' 344' ' ' LEU . 2.7 mm? -71.62 -45.65 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.373 179.478 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.803 ' OD1' HG23 ' A' ' 332' ' ' ILE . 20.4 t30 -62.34 -35.03 77.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -42.37 61.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.06 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.609 HD13 ' HG2' ' A' ' 337' ' ' ARG . 3.0 mt -75.03 -30.57 61.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.7 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.33 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.763 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 1.4 mptp? -60.1 -33.89 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.87 -43.86 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -82.41 -40.01 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.51 -174.9 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.432 -1.205 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.824 0.345 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.25 109.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 18.5 m-85 -133.76 151.84 51.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 139.37 14.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.604 ' CD2' HD11 ' C' ' 332' ' ' ILE . 24.1 tp -133.13 118.7 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.27 120.05 6.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.604 HD11 ' CD2' ' C' ' 330' ' ' LEU . 4.3 mt -127.28 126.9 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.044 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -75.7 -31.17 59.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.1 130.91 22.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -76.12 -44.6 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.55 -51.84 63.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.824 ' HG2' HD22 ' D' ' 348' ' ' LEU . 1.6 tpp180 -58.53 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.507 ' HD1' HD12 ' C' ' 332' ' ' ILE . 52.5 t80 -62.27 -33.18 74.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.62 -36.55 83.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.347 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.567 ' O ' HD12 ' C' ' 344' ' ' LEU . 8.2 ttm -65.45 -58.13 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.475 ' HD2' HD13 ' C' ' 332' ' ' ILE . 6.2 m-85 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -71.5 -42.09 68.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.98 -32.32 73.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.928 HD21 HD11 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -67.66 -43.43 80.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.649 179.719 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.86 -47.37 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.763 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -63.99 -26.45 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.737 HD22 ' CD ' ' D' ' 337' ' ' ARG . 24.1 tp -69.38 -43.8 72.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.2 -24.31 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.83 -38.86 57.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.22 -29.17 65.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.53 -39.84 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.23 -31.18 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.47 51.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.28 88.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.531 179.994 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.2 m 62.2 117.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 3.8 m-85 -129.08 142.46 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.41 133.8 12.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.682 HD23 HD11 ' D' ' 332' ' ' ILE . 11.8 tp -118.12 129.81 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.49 82.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.682 HD11 HD23 ' D' ' 330' ' ' LEU . 3.6 mp -94.58 129.66 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.41 32.2 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.539 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.18 126.68 3.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.24 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.34 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.737 ' CD ' HD22 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -57.45 -37.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 42.4 t80 -66.58 -40.09 88.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -59.94 -34.99 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -56.39 11.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.429 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.652 ' HE2' HD22 ' C' ' 344' ' ' LEU . 3.1 m-85 -61.51 -31.04 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.8 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -76.36 -43.09 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.5 -30.95 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.726 HD11 HD11 ' A' ' 344' ' ' LEU . 1.4 tt -70.51 -38.84 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.51 179.689 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -64.09 -43.85 94.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.45 73.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.8 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.824 HD22 ' HG2' ' C' ' 337' ' ' ARG . 4.1 tp -68.1 -36.88 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.676 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -31.1 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -37.86 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.72 -31.35 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.31 -31.55 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.37 -31.13 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.12 -38.87 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.48 113.37 24.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.53 179.969 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 8.7 t -153.43 150.33 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -135.88 133.2 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.38 133.03 11.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.989 HD22 HD11 ' A' ' 332' ' ' ILE . 1.0 OUTLIER -133.82 140.18 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 331' ' ' GLY . . . . . 0.434 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -126.83 126.95 5.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.989 HD11 HD22 ' A' ' 330' ' ' LEU . 3.8 mp -131.83 132.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.25 -30.94 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -71.04 119.95 8.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -36.49 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.91 -48.19 72.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.63 ' HD2' HD11 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.08 -49.56 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' B' ' 330' ' ' LEU . 15.6 t80 -58.67 -35.69 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.75 -41.88 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.303 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.483 ' HE3' ' HG2' ' C' ' 340' ' ' MET . 2.8 mmm -64.8 -58.91 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.07 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.507 ' HE1' HD22 ' B' ' 344' ' ' LEU . 6.3 m-85 -60.36 -25.09 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.525 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -78.12 -46.17 21.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.342 . . . . 0.0 110.451 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.07 -30.33 68.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.409 179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.471 HD11 HD21 ' D' ' 344' ' ' LEU . 3.7 mp -70.62 -40.78 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.507 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.488 ' OD1' HD12 ' B' ' 332' ' ' ILE . 13.4 t30 -62.98 -41.35 99.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.19 -41.23 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.81 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.452 HD13 ' HB3' ' B' ' 337' ' ' ARG . 23.8 mt -71.35 -33.59 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.8 -30.64 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -70.5 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -63.6 -32.68 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -33.4 75.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.11 -30.48 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -73.24 -35.82 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.06 79.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.35 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 t 61.26 113.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.1 m-85 -126.81 150.94 48.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.53 149.84 17.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -140.26 133.44 29.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.04 82.34 0.44 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.586 HG22 ' H ' ' B' ' 334' ' ' GLY . 25.0 mm -83.09 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -105.16 30.91 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.586 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -136.58 133.43 6.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.78 52.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.05 -56.85 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HB3' HD13 ' A' ' 348' ' ' LEU . 16.1 ptp180 -58.38 -42.51 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.546 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 24.9 t80 -65.18 -35.56 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.671 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -62.44 -37.2 84.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.409 ' O ' HD13 ' B' ' 344' ' ' LEU . 0.0 OUTLIER -65.43 -54.18 32.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.482 179.645 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.72 -28.82 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -47.36 61.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.73 -40.34 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.835 ' O ' HD12 ' B' ' 348' ' ' LEU . 5.8 mp -63.35 -40.84 98.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.76 -45.86 90.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.62 -30.82 70.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.55 -46.44 85.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.018 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.835 HD12 ' O ' ' B' ' 344' ' ' LEU . 3.3 mp -60.82 -43.56 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.747 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.0 -31.03 69.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.71 -31.86 59.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -72.29 -31.36 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.83 -31.45 70.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.91 -31.23 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.9 -44.54 16.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.52 -179.66 7.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.512 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m -162.89 152.35 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -144.61 125.98 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.21 143.77 15.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 1.106 HD23 HD11 ' C' ' 332' ' ' ILE . 12.9 tp -133.75 132.88 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -93.84 82.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 1.106 HD11 HD23 ' C' ' 330' ' ' LEU . 24.4 mm -76.07 124.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.59 118.95 0.94 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -60.01 -39.87 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.78 -47.54 45.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -59.78 -50.92 71.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.1 t80 -60.96 -33.07 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.16 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.543 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.483 ' HG2' ' HE3' ' A' ' 340' ' ' MET . 2.3 mpp? -65.28 -54.17 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.17 -27.73 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -73.94 -46.56 43.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.32 -31.63 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.624 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.715 ' O ' HD12 ' C' ' 348' ' ' LEU . 41.7 mt -73.24 -30.83 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.547 ' ND2' ' CE1' ' D' ' 341' ' ' PHE . 8.8 m-80 -71.37 -41.77 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.554 ' O ' HD12 ' C' ' 350' ' ' LEU . 12.5 tt0 -70.27 -39.35 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.41 -30.94 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.715 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.7 OUTLIER -73.43 -30.3 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.867 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.28 -29.71 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.554 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.9 mp -68.57 -47.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' C' ' 348' ' ' LEU . 5.0 ptpp? -61.46 -29.95 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.87 -40.28 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.03 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -73.08 -31.58 64.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.12 35.38 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.466 -179.942 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 98.3 p -102.35 149.06 24.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 27.4 m-85 -143.54 137.06 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.16 114.59 4.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.946 HD22 HD11 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -98.42 134.48 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.946 HD11 HD22 ' D' ' 330' ' ' LEU . 3.8 mp -122.8 116.08 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -98.98 31.27 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.511 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -128.05 121.34 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.71 -43.81 97.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -46.94 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.57 ' CG ' HD13 ' C' ' 348' ' ' LEU . 6.1 ttm180 -59.85 -52.44 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.773 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 16.9 t80 -60.68 -31.76 71.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.09 -37.58 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtm -66.26 -56.87 9.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.374 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.547 ' CE1' ' ND2' ' C' ' 345' ' ' ASN . 4.1 m-85 -61.45 -26.12 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -73.48 -42.33 62.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -73.16 -31.4 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.798 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.6 OUTLIER -73.79 -31.32 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 179.764 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -71.86 -42.1 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -72.22 -31.54 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.17 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -74.66 -34.05 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.76 -30.68 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.2 -38.42 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -62.39 -31.21 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.83 -35.0 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.19 62.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -37.56 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.2 78.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.501 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 13.1 m-85 -130.22 111.89 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.55 149.05 29.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.7 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.4 OUTLIER -120.92 117.49 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.55 86.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.7 ' CD1' HD22 ' A' ' 330' ' ' LEU . 3.5 mp -96.93 141.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.5 33.05 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.2 118.8 1.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -60.0 -37.65 80.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.94 -43.52 71.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.678 ' HG3' HD22 ' B' ' 348' ' ' LEU . 2.7 mmt-85 -60.02 -53.29 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CE1' HD12 ' B' ' 330' ' ' LEU . 16.1 t80 -57.93 -33.78 69.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.61 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.51 -41.9 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.386 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.602 ' O ' HD13 ' A' ' 344' ' ' LEU . 9.2 mtm -65.24 -58.76 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.931 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' B' ' 344' ' ' LEU . 13.4 m-85 -60.47 -25.51 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.098 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 19.9 ttt180 -78.18 -43.87 27.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.496 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -30.37 69.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.421 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 348' ' ' LEU . 7.0 mp -70.4 -43.65 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.546 HD21 HG23 ' B' ' 332' ' ' ILE . 26.9 t-20 -66.2 -40.45 90.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -74.33 -34.59 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.518 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -77.08 -30.53 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -76.2 -29.8 57.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.73 -29.91 65.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.66 -35.23 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -36.18 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -40.18 89.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.51 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.8 151.64 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -111.76 152.82 17.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.731 HD22 ' CG1' ' B' ' 332' ' ' ILE . 0.5 OUTLIER -133.85 134.81 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 87.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.731 ' CG1' HD22 ' B' ' 330' ' ' LEU . 24.0 mt -110.84 127.44 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -99.29 32.35 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.54 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -114.8 110.34 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.488 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -73.66 -50.64 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.71 ' HD2' HD13 ' A' ' 348' ' ' LEU . 1.5 tpp180 -59.12 -50.99 71.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 342' ' ' ARG . 92.0 t80 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.465 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.65 -34.87 78.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -67.02 -58.2 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.264 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.433 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.9 m-85 -60.23 -26.45 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 2.5 mmt180 -69.74 -37.18 76.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -32.57 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.561 HD21 HD21 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -69.17 -40.85 77.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.634 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.488 ' OD1' HG23 ' A' ' 332' ' ' ILE . 12.8 t30 -63.65 -42.41 98.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.83 -45.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.559 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.28 -29.37 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.736 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.678 HD22 ' HG3' ' A' ' 337' ' ' ARG . 10.8 tp -68.16 -38.96 82.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.747 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.98 -29.93 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.22 -34.25 74.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -63.16 -31.59 72.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -33.53 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.48 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -137.27 121.91 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.94 6.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.56 HD23 HD11 ' C' ' 332' ' ' ILE . 15.1 tp -100.42 113.14 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.46 85.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.56 HD11 HD23 ' C' ' 330' ' ' LEU . 3.5 mp -93.02 139.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 31.05 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.518 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -126.63 120.45 3.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -64.34 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -55.65 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -58.34 -47.16 84.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 28.6 t80 -63.2 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -38.4 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.406 ' HG2' HD12 ' C' ' 344' ' ' LEU . 5.7 ttm -65.41 -56.07 14.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.307 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.4 m-85 -59.42 -28.05 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -68.5 -43.39 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.32 -29.77 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.57 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.797 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -75.02 -31.85 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.71 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -40.31 66.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.04 -36.44 72.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.797 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -73.63 -33.34 64.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.6 -31.17 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.67 -38.39 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -62.44 -39.89 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 -32.98 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.34 67.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 4.9 m-85 -130.92 125.74 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.39 118.02 4.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.12 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.03 123.64 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.461 HD13 ' HE2' ' D' ' 341' ' ' PHE . 23.4 mt -132.8 144.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 36.42 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.02 129.32 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -31.32 59.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.24 -49.07 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -59.16 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 47.3 t80 -60.58 -32.72 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.604 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.46 -38.92 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.57 ' HE1' HD22 ' C' ' 344' ' ' LEU . 10.4 ttp -64.55 -55.67 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' D' ' 332' ' ' ILE . 5.1 m-85 -59.15 -25.17 63.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.021 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -45.52 57.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.649 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.586 ' OE1' HD21 ' A' ' 348' ' ' LEU . 2.3 tm-20 -71.83 -31.09 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.649 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' D' ' 348' ' ' LEU . 91.4 mt -75.07 -31.25 61.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.754 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.03 -39.92 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -71.15 -31.68 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.7 mm? -70.51 -36.87 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -67.15 -30.85 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.16 -38.52 85.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.518 ' CE ' ' HB2' ' A' ' 347' ' ' ALA . 26.3 mttm -60.16 -34.49 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.82 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.61 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 10.8 m-85 -136.28 135.67 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.63 5.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.0 OUTLIER -107.19 133.53 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.486 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -110.29 85.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.528 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.781 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.9 mm -75.23 152.98 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -129.71 75.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.05 133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -60.89 -45.92 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.85 -40.44 72.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.825 ' HD2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -62.57 -55.7 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -61.13 -32.12 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.302 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.59 -36.11 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mtm -66.71 -60.07 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.49 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.83 -24.09 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -76.83 -40.99 45.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.26 -32.05 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.616 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.871 ' CD1' HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -73.96 -32.12 63.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.664 179.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -71.35 -40.09 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.23 -39.53 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.89 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.1 mt -73.18 -31.63 64.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.788 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.72 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.67 -35.34 80.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -60.38 -33.14 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -34.27 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.56 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.773 0.321 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -143.34 114.03 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -73.19 145.83 36.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.617 HD22 HD13 ' B' ' 332' ' ' ILE . 1.4 tt -131.6 138.27 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . 0.606 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -85.34 82.63 1.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.617 HD13 HD22 ' B' ' 330' ' ' LEU . 26.0 mm -89.28 153.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -147.35 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.63 129.12 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -60.37 -65.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.25 -37.05 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.864 ' HD3' HD13 ' A' ' 348' ' ' LEU . 15.1 ttp180 -64.2 -57.41 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.448 ' HB2' HG21 ' B' ' 332' ' ' ILE . 15.2 t80 -64.14 -31.31 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.0 -32.32 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.59 ' O ' HD23 ' B' ' 344' ' ' LEU . 7.1 ttm -68.75 -57.07 6.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.331 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 3.3 m-85 -60.88 -25.3 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -76.38 -45.76 30.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.539 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -68.27 -32.19 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.289 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.774 ' O ' HD12 ' B' ' 348' ' ' LEU . 4.1 mm? -71.66 -44.94 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -62.89 -34.02 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.814 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.24 -44.4 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.649 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' C' ' 351' ' ' LYS . . . -70.63 -31.15 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.825 HD13 ' HD2' ' A' ' 337' ' ' ARG . 0.4 OUTLIER -73.66 -35.33 65.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.02 -23.68 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.424 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' B' ' 350' ' ' LEU . 11.2 tp -77.81 -33.42 52.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.548 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 0.3 OUTLIER -73.93 -31.02 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.1 -31.51 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.9 m-85 -135.64 151.02 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -97.89 138.54 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.51 HD23 ' N ' ' C' ' 331' ' ' GLY . 1.4 tt -136.85 135.29 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . 0.51 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -100.23 82.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.56 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.7 mp -71.26 85.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -72.53 75.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.21 140.74 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.35 -56.04 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.04 -36.39 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.536 ' HE ' HD13 ' D' ' 348' ' ' LEU . 50.2 mmt-85 -60.85 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' D' ' 330' ' ' LEU . 59.1 t80 -54.62 -37.11 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.799 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.12 -43.11 91.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.343 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.9 mmm -66.07 -58.52 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.908 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 6.0 m-85 -61.33 -19.94 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.342 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -79.36 -39.88 31.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.585 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.95 -31.99 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.753 ' O ' HD12 ' C' ' 348' ' ' LEU . 13.5 mt -74.43 -36.01 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.427 ' OD1' HG23 ' D' ' 332' ' ' ILE . 13.2 m-20 -69.97 -34.84 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.47 -42.58 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.548 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -71.54 -30.95 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.789 HD13 ' CG ' ' D' ' 337' ' ' ARG . 0.6 OUTLIER -74.24 -29.84 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.17 -31.36 68.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.25 -39.69 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.459 ' HD2' ' HB2' ' B' ' 347' ' ' ALA . 26.7 mtpt -65.14 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.76 -32.51 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.71 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -97.68 126.6 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -74.68 135.78 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.607 HD23 ' N ' ' D' ' 331' ' ' GLY . 1.9 tt -140.77 128.46 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . 0.607 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -96.32 100.15 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.555 HG13 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -98.64 137.96 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.49 77.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.53 125.72 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -65.04 -43.99 90.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.01 -43.49 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.789 ' CG ' HD13 ' C' ' 348' ' ' LEU . 6.4 ttm180 -60.59 -53.03 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.7 t80 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.598 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.08 -35.91 80.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.412 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mtm -66.0 -57.6 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.3 m-85 -60.87 -28.2 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -75.87 -44.35 41.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.604 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.41 -30.76 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.871 HD21 ' CD1' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.64 -32.56 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.665 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.79 -41.86 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.2 -30.75 58.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.89 -28.08 36.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.997 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.737 HD23 ' HD3' ' D' ' 351' ' ' LYS . 15.9 mt -80.63 -29.87 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.12 -27.07 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.36 -35.23 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.737 ' HD3' HD23 ' D' ' 348' ' ' LEU . 12.9 ptmm? -72.57 -31.5 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.7 -31.21 57.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.14 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 26.9 m-85 -100.98 118.96 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.86 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' B' ' 342' ' ' ARG . 1.2 tt -150.57 113.91 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.18 94.95 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.674 HG23 ' OD1' ' B' ' 345' ' ' ASN . 24.1 mt -110.01 127.28 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -107.66 30.8 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.596 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -122.12 110.78 1.67 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -33.3 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.999 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -73.98 -62.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.635 ' HB3' HD13 ' B' ' 348' ' ' LEU . 12.0 ptp180 -57.22 -40.01 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -66.66 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.63 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -53.07 52.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.664 ' HB2' HD11 ' B' ' 330' ' ' LEU . 3.7 m-85 -59.24 -30.23 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -70.64 -47.23 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.25 -30.69 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.796 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.89 -36.15 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 179.676 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.12 -43.04 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 350' ' ' LEU . 15.5 tt0 -70.42 -35.07 73.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.51 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.761 HD13 ' HD3' ' B' ' 337' ' ' ARG . 1.8 mt -72.04 -28.92 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.16 -28.15 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.6 OUTLIER -72.41 -50.03 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -28.78 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.29 -33.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.94 50.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -153.61 137.21 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.86 6.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.774 HD22 ' CD1' ' B' ' 332' ' ' ILE . 0.8 OUTLIER -107.58 136.96 46.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . 0.566 ' H ' HD23 ' B' ' 330' ' ' LEU . . . -132.87 90.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.774 ' CD1' HD22 ' B' ' 330' ' ' LEU . 3.5 mp -95.07 146.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.1 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -110.89 77.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.32 147.67 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.24 -52.97 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.17 -42.72 93.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.761 ' HD3' HD13 ' A' ' 348' ' ' LEU . 8.3 ttm-85 -61.49 -54.15 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.2 t80 -60.3 -30.82 69.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.88 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.15 -56.15 12.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.351 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 2.8 m-85 -62.61 -28.0 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.492 ' HA ' HD11 ' A' ' 330' ' ' LEU . 32.2 ttt-85 -74.48 -42.04 59.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.33 -32.18 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.757 HD11 HD21 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -71.05 -32.79 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.674 ' OD1' HG23 ' A' ' 332' ' ' ILE . 7.2 t30 -69.63 -46.0 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.552 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -76.52 -30.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.711 HD23 ' HD3' ' B' ' 351' ' ' LYS . 14.1 mt -74.53 -31.1 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.99 -30.07 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.27 -40.58 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.711 ' HD3' HD23 ' B' ' 348' ' ' LEU . 12.7 ptmm? -68.54 -30.08 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.817 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.86 -31.26 70.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.01 -31.19 56.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.09 151.14 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.45 118.48 4.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.8 OUTLIER -103.16 125.08 49.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.86 91.63 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.795 ' CD1' HD22 ' C' ' 330' ' ' LEU . 26.7 mm -91.9 149.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -142.86 34.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.514 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -153.89 141.95 8.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -71.9 -55.89 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.21 -44.23 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -59.88 -51.85 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.781 ' HB2' HG21 ' C' ' 332' ' ' ILE . 19.5 t80 -59.34 -33.4 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.81 -39.96 93.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.71 -55.48 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.418 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.5 -27.13 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -72.25 -44.7 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -31.39 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.437 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.757 HD21 HD11 ' B' ' 344' ' ' LEU . 1.4 mp -72.39 -35.46 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.626 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.753 HD21 HD12 ' D' ' 332' ' ' ILE . 0.6 OUTLIER -67.79 -41.5 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -73.9 -34.43 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -79.98 -28.51 39.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' D' ' 337' ' ' ARG . 13.5 mt -84.34 -19.29 33.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -85.25 -30.22 23.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.724 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.2 pp -76.87 -26.82 54.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.937 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.724 ' N ' HD12 ' C' ' 350' ' ' LEU . 16.5 ptpt -74.13 -31.02 62.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.374 . . . . 0.0 110.797 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -66.76 -36.02 81.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.38 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -112.48 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.29 136.76 14.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.471 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 15.3 tp -139.27 110.95 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.27 92.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.753 HD12 HD21 ' C' ' 345' ' ' ASN . 21.1 mm -75.8 126.71 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -100.48 36.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.59 136.33 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.36 -37.3 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.758 ' HG2' HD13 ' C' ' 348' ' ' LEU . 3.3 mtm180 -63.48 -56.46 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' D' ' 338' ' ' PHE . 27.6 t80 -60.27 -20.14 57.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.99 -41.17 62.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.278 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' D' ' 341' ' ' PHE . 2.1 ptm -69.98 -39.84 75.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 111.007 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.57 ' HB2' HD11 ' C' ' 330' ' ' LEU . 2.7 m-85 -72.31 -28.93 63.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -74.51 -40.34 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.439 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.796 HD21 ' CG ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.28 -32.04 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -42.96 62.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.738 ' O ' HD23 ' D' ' 350' ' ' LEU . 25.2 tt0 -73.04 -31.53 64.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.7 -30.83 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.989 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -74.81 -33.68 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.708 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.47 -29.21 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.738 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.3 mm? -69.99 -44.4 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.54 ' HE3' HD13 ' D' ' 348' ' ' LEU . 14.7 ptpt -65.67 -29.18 69.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -36.59 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.09 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.597 ' OE1' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.4 m-85 -113.43 125.99 54.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.7 116.9 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 1.011 HD23 HD11 ' A' ' 332' ' ' ILE . 18.8 tp -98.35 128.15 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.59 82.57 0.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 1.011 HD11 HD23 ' A' ' 330' ' ' LEU . 3.7 mp -85.83 133.03 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -102.21 76.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.18 142.5 3.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -77.68 -33.29 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.24 -52.94 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.648 ' CG ' HD13 ' B' ' 348' ' ' LEU . 2.8 ttm180 -58.55 -49.7 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.589 ' CD2' HD12 ' B' ' 330' ' ' LEU . 22.0 t80 -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.78 -38.5 90.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -65.6 -56.27 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.9 m-85 -61.34 -28.02 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -72.31 -42.28 65.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.567 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.0 -30.23 62.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.664 HD21 HD21 ' D' ' 344' ' ' LEU . 1.1 mp -74.81 -33.15 62.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -41.78 63.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.759 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.1 -31.61 69.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.37 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.695 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.7 OUTLIER -69.59 -30.14 67.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.735 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.3 -27.67 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -39.26 41.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -28.55 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.51 -30.95 63.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.55 75.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -136.17 138.74 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.84 128.55 9.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.589 HD12 ' CD2' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -109.31 141.29 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.66 103.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.591 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.8 mp -114.51 138.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.146 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -126.82 31.28 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.591 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -140.17 134.18 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.71 -51.84 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.76 -37.56 84.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.695 ' HG3' HD13 ' A' ' 348' ' ' LEU . 10.0 ttm180 -63.06 -55.63 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 33.8 t80 -60.19 -31.97 70.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.89 -36.09 82.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.6 ttm -66.5 -57.09 8.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.325 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.2 m-85 -59.69 -25.78 65.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.89 -44.34 63.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.597 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -71.79 -31.95 67.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.569 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.62 ' O ' HD12 ' B' ' 348' ' ' LEU . 65.6 mt -73.03 -31.89 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.642 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.403 ' OD1' ' CE1' ' A' ' 341' ' ' PHE . 2.5 m120 -70.44 -41.97 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.78 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -32.73 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.438 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -78.29 -31.72 49.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.648 HD13 ' CG ' ' A' ' 337' ' ' ARG . 3.0 mt -77.77 -28.92 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -76.2 -30.54 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.93 -37.04 64.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -70.49 -31.54 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -31.57 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.55 -35.14 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 25.2 m-85 -111.5 135.99 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.03 83.21 1.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.509 HD22 HD11 ' C' ' 332' ' ' ILE . 0.5 OUTLIER -74.44 118.01 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 115.65 5.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.509 HD11 HD22 ' C' ' 330' ' ' LEU . 24.9 mm -106.65 136.9 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -106.21 36.13 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.43 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -157.48 135.21 4.27 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.39 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.46 -53.72 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.712 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 38.5 t80 -62.54 -31.26 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.596 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -38.28 90.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.14 -56.66 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.4 m-85 -60.9 -25.7 66.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.813 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.673 ' HA ' HD11 ' D' ' 330' ' ' LEU . 9.9 tpt180 -71.5 -42.7 67.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.87 -31.61 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.801 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.9 OUTLIER -75.17 -31.58 61.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.82 -39.21 69.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.95 -36.23 69.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.453 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -73.48 -32.12 64.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.801 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -73.27 -32.39 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -30.74 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.58 84.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.0 OUTLIER -60.0 -38.8 83.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -35.19 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.15 83.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 24.6 m-85 -146.09 144.12 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.43 141.8 15.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' C' ' 342' ' ' ARG . 0.5 OUTLIER -134.36 116.52 15.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.07 100.68 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.545 ' CD1' HD22 ' D' ' 330' ' ' LEU . 30.4 mm -91.31 104.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 74.81 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.64 141.23 3.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -75.24 -36.99 61.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -48.81 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.436 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 8.9 ttm180 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.493 ' CA ' HG21 ' D' ' 332' ' ' ILE . 24.4 t80 -61.0 -34.49 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.42 -37.06 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.458 ' CE ' HD23 ' C' ' 344' ' ' LEU . 14.5 ttp -65.27 -57.91 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.368 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.4 m-85 -59.36 -27.34 65.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -70.71 -42.27 70.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -74.9 -30.67 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.718 ' O ' HD12 ' D' ' 348' ' ' LEU . 21.1 mt -75.68 -30.57 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.693 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.88 -40.5 63.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.704 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -34.65 65.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.737 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.84 -30.47 58.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.987 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.718 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -75.78 -30.98 59.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.06 -29.18 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.49 -44.07 65.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -64.21 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.36 -31.47 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.25 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.7 m-85 -105.9 144.92 31.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.41 122.77 5.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.564 HD22 HG13 ' A' ' 332' ' ' ILE . 0.9 OUTLIER -131.45 110.97 11.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.14 100.12 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.564 HG13 HD22 ' A' ' 330' ' ' LEU . 3.8 mp -98.55 112.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -85.82 77.05 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.34 126.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.41 -46.68 75.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.56 -45.7 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -51.88 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.627 ' CE2' HD12 ' B' ' 330' ' ' LEU . 17.4 t80 -59.98 -32.88 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.0 -38.83 90.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.416 ' HE3' ' HE1' ' A' ' 341' ' ' PHE . 50.7 ttp -65.56 -56.96 9.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.383 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -62.25 -26.75 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -77.08 -42.24 38.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.583 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -72.67 -31.63 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.919 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.21 -35.16 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.517 179.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.84 -43.24 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.71 -29.74 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -78.29 -29.31 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.655 HD13 ' CG ' ' B' ' 337' ' ' ARG . 7.4 mt -76.52 -34.63 58.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.4 -29.46 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -70.72 -36.16 73.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -66.97 -31.16 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.44 -31.57 72.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.37 93.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.555 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.3 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 41.8 m-85 -108.44 137.86 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.96 127.66 8.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.771 HD22 HD11 ' B' ' 332' ' ' ILE . 1.0 OUTLIER -127.55 105.71 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.66 106.04 3.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.771 HD11 HD22 ' B' ' 330' ' ' LEU . 3.8 mp -102.12 132.8 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.68 31.06 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.546 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -135.3 135.36 7.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -70.28 -49.92 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.95 -47.5 77.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.655 ' CG ' HD13 ' A' ' 348' ' ' LEU . 12.1 mtm180 -59.65 -51.89 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.769 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 20.3 t80 -60.32 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.45 -39.5 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.34 -56.51 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.323 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -62.18 -27.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -76.31 -43.07 42.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.587 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.852 HD21 HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -73.45 -31.44 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.6 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.47 -43.39 66.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.71 -31.96 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.561 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -73.05 -31.59 64.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.991 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.835 HD13 ' HD3' ' B' ' 351' ' ' LYS . 3.4 mm? -71.86 -40.09 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.49 -43.09 57.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.835 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.9 OUTLIER -72.04 -30.12 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.99 -31.08 56.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.36 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -117.35 141.06 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.65 114.4 4.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.732 HD23 HD11 ' C' ' 332' ' ' ILE . 14.0 tp -106.78 124.76 50.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.93 91.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.732 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -95.0 129.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 34.31 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.501 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -135.33 140.53 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -77.8 -49.36 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.26 -47.21 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -59.44 -50.29 74.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CE2' HD12 ' D' ' 330' ' ' LEU . 17.1 t80 -60.41 -33.07 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.625 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -55.0 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.88 -27.91 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.71 -44.69 66.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.598 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.34 -30.51 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.852 HD21 HD21 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.689 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -71.67 -39.47 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.11 -38.72 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.23 -33.32 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.776 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.4 OUTLIER -73.66 -29.5 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -70.15 -30.84 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.34 -38.56 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.561 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.9 OUTLIER -60.76 -33.2 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -34.48 75.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.29 -31.71 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 24.9 m-85 -138.63 150.74 46.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -102.41 137.07 13.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.563 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.608 HD22 HD11 ' D' ' 332' ' ' ILE . 0.8 OUTLIER -132.64 131.8 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.5 100.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.608 HD11 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -105.98 117.58 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -93.11 74.93 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 142.53 5.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -77.38 -46.77 21.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.86 -40.48 72.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.628 ' CG ' HD13 ' C' ' 348' ' ' LEU . 7.2 ttm180 -61.3 -53.89 51.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.72 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.636 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 27.8 t80 -60.13 -36.54 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.33 -36.44 77.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttm -65.58 -56.76 10.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.61 -26.06 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -45.13 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.601 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.63 -30.7 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.919 HD21 HD11 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -72.62 -35.47 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' C' ' 332' ' ' ILE . 18.1 t-20 -68.6 -42.97 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.738 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.429 ' O ' HD12 ' D' ' 350' ' ' LEU . 10.5 mt-10 -69.22 -33.76 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.29 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.788 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.8 mm? -68.53 -37.41 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.736 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.7 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.555 HD21 ' NE2' ' A' ' 354' ' ' GLN . 1.8 mp -63.1 -42.98 99.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.5 OUTLIER -58.97 -30.61 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -32.16 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.28 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.444 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 29.9 m-85 -151.47 127.37 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.07 121.7 6.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.1 129.04 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.59 99.78 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.572 HG22 ' H ' ' A' ' 334' ' ' GLY . 3.9 mp -101.29 137.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -109.81 32.94 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.572 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.13 146.41 17.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -78.1 -38.4 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.12 -48.11 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.653 ' HG3' HD13 ' B' ' 348' ' ' LEU . 7.3 ttm180 -59.66 -51.83 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.725 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 46.1 t80 -60.89 -32.34 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.27 -38.09 87.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.451 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 ttp -65.64 -57.67 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -61.12 -27.06 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -73.8 -43.17 59.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.487 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.08 -29.87 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.921 HD21 HD11 ' D' ' 344' ' ' LEU . 2.3 mt -75.15 -30.92 60.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.636 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.02 -43.22 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.01 -30.53 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -76.81 -31.42 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 344' ' ' LEU . 1.8 mm? -74.61 -34.05 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.731 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.92 -29.18 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -47.15 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -27.44 63.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -78.78 -30.22 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.68 -31.06 61.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 8.2 m-85 -127.06 130.75 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -109.91 138.17 14.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 332' ' ' ILE . 14.1 tp -128.7 140.61 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.18 91.06 0.65 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 332' ' ' ILE . 3.9 mp -97.16 122.11 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -94.84 48.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.93 136.13 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -75.35 -51.55 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.91 -45.05 79.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -61.48 -55.51 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 32.2 t80 -60.96 -26.72 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.469 ' HA ' ' HG2' ' B' ' 342' ' ' ARG . 22.2 mt-10 -67.8 -35.32 78.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -70.95 -44.75 65.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' B' ' 338' ' ' PHE . 2.5 m-85 -64.13 -34.92 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.469 ' HG2' ' HA ' ' B' ' 339' ' ' GLU . 2.8 ptp180 -73.26 -34.41 65.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.781 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.58 -33.75 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.115 HD11 HD22 ' C' ' 344' ' ' LEU . 5.3 tp -75.15 -30.95 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.695 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -74.63 -38.31 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.696 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.426 ' O ' HD12 ' B' ' 350' ' ' LEU . 26.7 tt0 -71.66 -36.1 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.23 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.661 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.6 OUTLIER -70.93 -31.24 67.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.53 -30.38 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.542 HD23 HE22 ' C' ' 354' ' ' GLN . 1.5 mp -62.9 -38.14 89.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.666 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 26.3 mttt -59.33 -32.23 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.12 -46.19 74.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.39 72.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.32 146.78 48.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.33 112.58 3.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.722 HD22 HG13 ' C' ' 332' ' ' ILE . 0.9 OUTLIER -99.52 129.64 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . 0.467 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -97.76 82.54 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.722 HG13 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -91.23 124.02 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -103.18 30.9 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.585 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -127.73 139.69 11.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -77.07 -44.4 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.38 -46.63 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -58.47 -50.22 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.539 ' CE1' HD12 ' D' ' 330' ' ' LEU . 20.4 t80 -59.99 -39.86 87.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.536 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.67 -36.36 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.62 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -56.65 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.09 -25.96 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -45.56 47.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.584 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -71.13 -32.64 69.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 1.115 HD22 HD11 ' B' ' 344' ' ' LEU . 49.1 mt -72.82 -30.08 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.27 -43.15 67.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.719 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.78 -32.53 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -75.96 -32.41 59.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.786 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -73.35 -31.8 64.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.717 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.1 -34.33 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -66.72 -32.23 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.3 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.99 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.542 HE22 HD23 ' B' ' 350' ' ' LEU . 21.3 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -142.34 118.61 10.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.35 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.853 HD22 HD11 ' D' ' 332' ' ' ILE . 0.4 OUTLIER -109.13 138.45 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.39 108.92 3.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.853 HD11 HD22 ' D' ' 330' ' ' LEU . 25.9 mm -106.69 125.18 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 34.07 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.485 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -145.93 140.89 9.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -77.96 -37.27 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -47.29 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 ttm105 -60.39 -50.83 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.771 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -61.31 -32.54 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.33 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -55.5 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.394 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.2 -28.13 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -70.94 -44.13 66.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -29.85 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.498 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.921 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -74.54 -31.32 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.698 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.626 HD21 HG23 ' C' ' 332' ' ' ILE . 4.1 m120 -72.7 -41.88 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -35.1 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.96 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.843 HD13 ' HD3' ' D' ' 351' ' ' LYS . 3.2 mm? -72.4 -37.26 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.15 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.97 -48.21 54.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.843 ' HD3' HD13 ' D' ' 348' ' ' LEU . 8.6 ptmm? -67.83 -30.07 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.59 -31.06 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.76 70.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.1 m-85 -135.97 146.82 47.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.65 135.02 13.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.737 HD23 HD11 ' A' ' 332' ' ' ILE . 19.6 tp -129.49 142.47 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -122.08 83.54 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.737 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -88.2 132.08 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -94.68 93.8 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.17 139.45 2.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -77.55 -38.34 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.89 -48.7 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttm180 -59.83 -52.03 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 16.4 t80 -62.7 -31.62 72.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.27 -35.67 81.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -66.87 -54.95 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.48 ' HE1' HG21 ' A' ' 332' ' ' ILE . 4.0 m-85 -60.35 -28.51 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.04 -45.6 56.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.668 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.57 -31.2 69.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.549 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.783 HD22 HD11 ' D' ' 344' ' ' LEU . 27.4 mt -70.56 -33.82 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -68.79 -45.61 70.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 350' ' ' LEU . 6.0 mt-10 -69.07 -37.46 78.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.491 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -73.04 -31.28 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -72.3 -30.95 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -67.57 -30.73 70.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 346' ' ' GLU . 2.8 mp -67.79 -49.02 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.631 ' HE2' ' HB2' ' D' ' 347' ' ' ALA . 17.5 ptpt -60.88 -31.99 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.89 -42.98 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.04 67.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -135.02 141.61 46.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.63 141.42 17.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.656 HD23 HD11 ' B' ' 332' ' ' ILE . 33.9 tp -142.67 142.47 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.14 93.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.656 HD11 HD23 ' B' ' 330' ' ' LEU . 25.3 mm -89.15 112.58 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -82.63 77.08 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.07 135.84 1.89 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -73.64 -37.2 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.37 -48.97 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.637 ' CD ' HD13 ' A' ' 348' ' ' LEU . 9.3 mtm180 -58.97 -50.71 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.437 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 17.1 t80 -60.52 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.69 -38.11 86.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.38 -57.8 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.404 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.4 m-85 -60.63 -28.04 68.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -76.14 -45.66 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.9 -31.12 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.663 HD21 ' CG ' ' C' ' 344' ' ' LEU . 4.3 mt -70.96 -36.09 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.629 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.584 ' ND2' HG23 ' A' ' 332' ' ' ILE . 14.9 t-20 -66.75 -43.41 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.16 -31.6 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.89 -31.46 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.89 -31.54 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -71.22 -30.53 66.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -38.25 83.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -62.93 -39.88 95.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.69 -31.55 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.58 -31.95 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 69.2 m-85 -128.28 152.63 47.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.92 140.49 11.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.552 HD22 ' CE2' ' D' ' 338' ' ' PHE . 1.3 pt? -135.49 152.79 51.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.4 90.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.497 HG23 ' HD2' ' C' ' 337' ' ' ARG . 2.7 mp -81.29 128.98 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -98.38 35.15 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.491 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.86 126.74 3.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -64.05 -47.42 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.55 -39.66 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.642 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -61.85 -54.17 45.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.767 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' C' ' 332' ' ' ILE . 14.1 t80 -59.55 -32.78 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.676 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.16 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -66.81 -55.4 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.425 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.468 ' HE1' HD23 ' D' ' 344' ' ' LEU . 2.7 m-85 -62.72 -27.33 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -76.63 -44.13 35.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.45 -31.86 70.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.438 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.663 ' CG ' HD21 ' B' ' 344' ' ' LEU . 4.6 mp -71.93 -43.02 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.392 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.13 -35.54 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -66.86 -51.63 53.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.626 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.712 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.85 HD22 ' HG2' ' D' ' 337' ' ' ARG . 6.4 tp -66.33 -41.73 89.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.768 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.0 -31.42 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.59 -41.69 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -67.45 -30.69 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.99 -31.64 70.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -31.39 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 19.3 m-85 -108.56 150.9 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.92 116.65 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' D' ' 332' ' ' ILE . 0.8 OUTLIER -100.28 134.5 43.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . 0.526 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -109.82 85.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.693 ' CD1' HD22 ' D' ' 330' ' ' LEU . 22.0 mm -82.85 151.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 42.31 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -161.58 149.32 17.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -78.55 -56.14 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -46.04 90.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.85 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.9 tpt180 -60.36 -53.25 59.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' C' ' 330' ' ' LEU . 32.9 t80 -62.71 -32.66 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.402 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.94 -36.14 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtm -65.6 -56.34 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.367 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.469 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 6.0 m-85 -58.55 -26.36 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -46.16 54.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.643 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.67 -30.26 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.783 HD11 HD22 ' A' ' 344' ' ' LEU . 1.1 tp -71.76 -32.79 68.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.746 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.49 -44.39 67.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.13 -34.96 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . . . -75.74 -30.96 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' C' ' 337' ' ' ARG . 2.9 mt -74.87 -29.93 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.15 -29.61 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 350' ' ' LEU . 12.0 mt -67.47 -39.23 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.563 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 2.7 mtmp? -60.67 -41.35 94.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.5 -31.5 69.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.51 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.9 m-85 -126.66 120.97 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -76.51 132.84 12.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.432 HD22 HG13 ' A' ' 332' ' ' ILE . 1.1 tt -128.14 124.31 36.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.63 83.01 1.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.7 mp -76.92 150.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -129.8 77.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.89 135.14 1.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -69.84 -42.39 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -72.11 -43.95 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -61.0 -53.41 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 18.7 t80 -60.77 -31.39 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.2 -37.16 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.401 ' HE3' ' CE1' ' A' ' 341' ' ' PHE . 17.6 ttp -66.64 -55.46 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.15 -26.94 68.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -72.94 -41.26 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.595 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.7 -31.28 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.791 ' O ' HD23 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.702 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -73.27 -37.89 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.12 -31.7 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.449 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -75.47 -31.54 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -74.79 -36.04 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -71.73 -29.94 65.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -33.7 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -65.56 -38.78 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.18 -33.32 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.15 63.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -139.29 131.26 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -78.07 142.36 26.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 338' ' ' PHE . 13.8 tp -138.92 111.7 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.94 85.03 0.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.536 HD11 ' CD2' ' B' ' 330' ' ' LEU . 29.2 mm -86.89 127.19 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.6 71.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.73 129.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.4 -42.68 78.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -74.33 -51.09 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -58.32 -49.47 77.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.759 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 35.1 t80 -61.56 -35.12 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttm -64.55 -54.62 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.467 ' HE2' HG21 ' B' ' 332' ' ' ILE . 3.7 m-85 -59.43 -28.18 66.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -46.44 51.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.0 -31.4 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.032 HD22 HD11 ' C' ' 344' ' ' LEU . 12.1 mt -73.39 -31.3 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -71.03 -41.92 70.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.77 -31.62 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.735 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' B' ' 350' ' ' LEU . . . -72.27 -37.32 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.789 HD13 ' NZ ' ' B' ' 351' ' ' LYS . 3.7 mm? -68.26 -36.35 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.11 -28.72 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' B' ' 347' ' ' ALA . 3.9 mt -65.15 -42.58 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.789 ' NZ ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -61.33 -30.98 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.11 69.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -134.52 152.78 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.11 124.01 7.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.737 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.9 OUTLIER -118.06 134.53 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . 0.555 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -106.48 99.51 1.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.551 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.737 ' CD1' HD22 ' C' ' 330' ' ' LEU . 28.4 mm -102.69 131.86 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -101.59 86.97 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.1 134.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -72.22 -47.37 51.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -70.95 -42.0 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.566 ' HE ' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -62.04 -54.81 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.74 -32.51 72.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.342 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.02 -35.73 81.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.198 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.86 -60.04 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.499 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.9 m-85 -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -73.39 -44.47 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.75 -32.65 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 1.032 HD11 HD22 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -68.8 -36.1 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.62 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.626 ' ND2' HD21 ' D' ' 330' ' ' LEU . 19.7 m-20 -65.93 -45.83 80.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.97 -31.88 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.746 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -75.73 -31.4 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.762 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -73.76 -32.46 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -70.49 -30.77 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -66.64 -36.49 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -64.67 -34.38 78.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.67 -32.61 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.439 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 3.9 m-85 -130.26 152.33 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.15 145.84 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.626 HD21 ' ND2' ' C' ' 345' ' ' ASN . 21.3 tp -128.93 140.39 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.01 102.18 2.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.665 HD13 ' HD1' ' D' ' 338' ' ' PHE . 3.3 mp -107.64 131.64 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -111.41 36.87 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.497 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -155.02 128.15 2.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.38 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.25 -40.4 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.601 ' HG2' HG23 ' D' ' 332' ' ' ILE . 9.2 ttp180 -62.49 -55.66 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.665 ' HD1' HD13 ' D' ' 332' ' ' ILE . 16.2 t80 -62.24 -33.15 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -62.95 -34.06 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.169 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -67.03 -60.71 2.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.187 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.1 m-85 -62.47 -25.09 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -76.26 -39.03 55.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.517 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -74.87 -31.17 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.735 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -73.35 -33.87 65.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.61 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -70.79 -41.98 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.763 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.3 -36.7 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.28 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.566 HD22 ' HE ' ' C' ' 337' ' ' ARG . 14.7 mt -70.2 -37.98 75.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.82 -30.51 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -65.62 -41.32 92.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.449 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 18.5 mttt -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -34.89 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.446 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.5 m-85 -82.17 117.08 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.07 155.48 24.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' B' ' 338' ' ' PHE . 1.2 tt -148.02 136.74 21.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.431 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -93.72 94.9 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.586 HD13 HD22 ' A' ' 330' ' ' LEU . 30.5 mm -77.79 149.68 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -129.66 79.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.0 128.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -60.46 -37.82 82.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -73.21 -47.91 39.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.815 ' HG3' HD13 ' B' ' 348' ' ' LEU . 4.9 ttm180 -59.85 -52.09 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' B' ' 330' ' ' LEU . 68.0 t80 -61.12 -31.72 71.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.534 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.486 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.96 -56.55 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.307 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -60.99 -27.01 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -75.04 -44.76 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.81 -30.82 64.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.703 HD21 HD21 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -74.36 -31.62 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -71.65 -41.04 69.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.86 -26.45 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.5 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -80.97 -29.19 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.664 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.9 OUTLIER -79.26 -35.27 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.01 -24.61 55.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 350' ' ' LEU . 11.9 mt -78.01 -35.07 50.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -72.57 -31.16 65.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.89 -31.79 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 24.1 m-85 -146.05 134.86 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.73 143.79 17.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -133.32 134.29 43.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.34 101.5 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' B' ' 337' ' ' ARG . 3.8 mp -103.44 139.53 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -117.18 84.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.53 128.53 0.96 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -62.33 -35.7 79.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.25 -49.25 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.664 ' HG3' HD13 ' A' ' 348' ' ' LEU . 5.3 ttm180 -59.7 -51.94 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 32.1 t80 -61.73 -31.67 71.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.22 -37.61 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttm -66.45 -56.64 10.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.3 m-85 -62.39 -26.41 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.57 -42.26 59.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -31.38 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.668 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -74.12 -35.33 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.513 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.1 -41.87 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.671 ' O ' HD23 ' B' ' 350' ' ' LEU . 6.5 tt0 -72.34 -32.37 66.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.763 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.72 -33.16 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.815 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.7 OUTLIER -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -30.51 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.671 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -66.49 -44.25 83.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.422 ' HD2' HD23 ' B' ' 348' ' ' LEU . 15.4 ptpt -68.87 -31.41 70.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.94 -31.55 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.55 -31.34 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -107.55 123.34 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.57 148.73 21.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.462 HD22 HG13 ' C' ' 332' ' ' ILE . 0.6 OUTLIER -142.49 112.74 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -87.42 93.25 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.537 HD13 ' HD1' ' C' ' 341' ' ' PHE . 4.8 mt -95.29 137.37 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -105.85 75.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.26 120.42 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -62.34 -37.69 86.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.55 -49.15 34.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.407 ' HG2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.22 -51.42 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.409 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 17.0 t80 -60.62 -32.22 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -62.45 -38.33 89.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.517 ' O ' HD23 ' C' ' 344' ' ' LEU . 15.1 ttm -66.24 -57.55 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.265 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.537 ' HD1' HD13 ' C' ' 332' ' ' ILE . 3.3 m-85 -61.39 -25.95 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.07 -46.23 21.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.39 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -31.15 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.148 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.781 ' O ' HD12 ' C' ' 348' ' ' LEU . 3.2 mm? -69.5 -45.84 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.66 -39.18 79.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.683 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.634 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 tt0 -71.74 -37.61 70.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.43 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.781 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.3 OUTLIER -70.62 -38.93 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.62 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.634 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.8 mm? -64.47 -44.76 90.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.53 -31.54 57.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.28 -33.19 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 61.9 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -149.51 142.81 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.15 118.15 5.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' D' ' 332' ' ' ILE . 1.1 tt -101.16 131.19 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . 0.447 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -99.33 88.81 0.84 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.667 HD11 ' HB3' ' D' ' 330' ' ' LEU . 3.6 mp -96.99 114.01 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -96.56 40.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.08 140.37 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.79 -52.58 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.09 -47.65 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.606 ' HD3' HD13 ' C' ' 348' ' ' LEU . 1.7 ttm105 -59.64 -51.26 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.5 t80 -60.61 -32.22 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.15 -39.42 92.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.421 ' O ' HD23 ' D' ' 344' ' ' LEU . 7.6 mtm -64.89 -56.55 12.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.368 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.99 -26.46 64.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -75.87 -49.21 18.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.393 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -66.56 -30.72 71.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.175 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 344' ' ' LEU . 2.8 mm? -68.82 -45.9 70.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.406 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.445 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -59.77 -40.4 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.76 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.689 ' O ' HD23 ' D' ' 350' ' ' LEU . 7.4 tt0 -74.92 -32.95 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.87 -30.06 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.533 HD23 ' NZ ' ' D' ' 351' ' ' LYS . 12.4 mt -76.92 -30.77 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.57 -29.61 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.689 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -71.34 -43.48 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.533 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 14.2 ptpt -64.25 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.91 -31.41 72.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.42 72.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.438 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.7 m-85 -106.82 140.04 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.88 9.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.7 OUTLIER -109.49 133.3 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.471 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -103.02 83.9 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.78 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.4 mm -84.85 138.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -115.3 35.53 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.556 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -149.64 136.66 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -34.13 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.95 -49.37 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.846 ' HG2' HD22 ' B' ' 348' ' ' LEU . 4.5 tpt180 -59.39 -51.12 71.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' B' ' 330' ' ' LEU . 51.1 t80 -62.97 -33.13 74.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.89 -37.43 86.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.304 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mmm -64.11 -57.76 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.3 m-85 -57.38 -27.72 62.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -67.11 -40.42 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.539 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -31.71 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.522 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.773 HD21 HD11 ' D' ' 344' ' ' LEU . 1.3 mp -71.96 -34.94 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.587 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -44.38 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -30.99 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.19 60.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.402 HD13 ' HE ' ' B' ' 337' ' ' ARG . 12.5 mt -72.33 -31.89 66.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.82 -29.85 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.53 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -60.25 -31.36 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.38 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.66 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -108.21 150.16 27.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 126.17 8.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 1.057 HD23 HD11 ' B' ' 332' ' ' ILE . 4.7 tp -107.29 117.36 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.71 114.0 4.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 1.057 HD11 HD23 ' B' ' 330' ' ' LEU . 3.3 mp -125.38 134.52 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -98.45 34.43 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.422 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -138.98 137.24 8.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.0 -45.52 49.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.78 -49.73 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.8 ttm180 -58.9 -50.56 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.48 ' HD1' HD13 ' B' ' 332' ' ' ILE . 42.7 t80 -61.47 -34.26 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.71 -38.35 87.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.559 ' O ' HD12 ' B' ' 344' ' ' LEU . 27.5 ttm -64.92 -57.07 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.525 ' HE1' HD22 ' A' ' 344' ' ' LEU . 2.7 m-85 -62.73 -29.73 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.741 ' HA ' HD11 ' A' ' 330' ' ' LEU . 0.0 OUTLIER -76.23 -37.47 57.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.72 -36.43 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.734 ' CG ' HD21 ' C' ' 344' ' ' LEU . 0.8 OUTLIER -67.19 -40.85 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.475 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -61.44 -42.94 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -48.3 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.19 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.732 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.846 HD22 ' HG2' ' A' ' 337' ' ' ARG . 14.1 tp -66.85 -40.48 87.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -29.73 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.453 HD11 HE22 ' C' ' 354' ' ' GLN . 0.1 OUTLIER -71.84 -41.57 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -64.08 -30.31 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.35 -33.11 75.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -136.58 136.1 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.86 127.84 8.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.728 HD22 HG13 ' C' ' 332' ' ' ILE . 0.5 OUTLIER -100.03 132.06 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -113.07 89.0 0.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.728 HG13 HD22 ' C' ' 330' ' ' LEU . 4.6 mt -95.64 149.69 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -126.22 77.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.81 148.0 5.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -73.38 -47.03 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.72 -36.46 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.682 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -63.64 -56.07 18.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.735 ' CZ ' HD12 ' D' ' 330' ' ' LEU . 16.4 t80 -60.51 -32.12 71.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.88 -36.26 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -59.2 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.224 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -62.52 -24.92 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -77.01 -40.88 44.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.498 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.86 -30.64 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.734 HD21 ' CG ' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 179.657 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -72.2 -42.85 65.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.61 -31.83 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.99 56.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' D' ' 337' ' ' ARG . 2.4 mt -75.38 -31.53 60.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 -29.73 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -66.49 -37.1 84.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -64.09 -34.88 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -67.88 -32.12 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.93 -33.48 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.453 HE22 HD11 ' B' ' 350' ' ' LEU . 69.2 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 16.0 m-85 -143.84 139.08 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.88 157.55 25.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.844 HD22 HD11 ' D' ' 332' ' ' ILE . 0.9 OUTLIER -151.53 130.73 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.07 96.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.844 HD11 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -111.19 127.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -92.03 74.71 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.91 127.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -77.46 -33.93 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.55 -52.71 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.498 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.26 -49.86 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 16.6 t80 -61.82 -32.47 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.73 -37.49 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -56.85 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.367 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.5 m-85 -62.09 -25.65 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -75.73 -42.07 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.8 -30.95 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.773 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -73.69 -31.31 63.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.652 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.36 -42.87 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.523 ' O ' HD23 ' D' ' 350' ' ' LEU . 36.4 tt0 -70.93 -36.05 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.722 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.13 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 344' ' ' LEU . 2.4 mt -72.64 -31.29 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.54 -30.63 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -63.19 -41.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -66.17 -31.78 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -35.39 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.35 72.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -146.94 139.15 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.13 140.88 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' B' ' 338' ' ' PHE . 12.6 tp -135.3 124.28 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.83 82.36 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.76 143.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -117.24 73.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 142.36 4.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -76.01 -48.86 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.86 -43.31 72.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 1.3 ttp85 -61.91 -55.0 34.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 30.9 t80 -62.77 -31.18 72.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.89 -35.05 79.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.298 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttm -67.65 -58.23 5.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.245 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.06 -25.12 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -75.96 -41.87 50.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.51 -30.05 61.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.463 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.986 HD22 HD11 ' D' ' 344' ' ' LEU . 13.3 mt -74.29 -30.76 62.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -73.46 -43.25 60.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -72.39 -31.5 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.6 mm? -72.95 -30.55 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -68.58 -30.25 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.584 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 15.2 mttt -63.21 -33.79 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -59.89 -43.68 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.92 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 15.2 m-85 -103.23 145.98 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -92.25 122.12 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.553 HD23 HD11 ' B' ' 332' ' ' ILE . 16.8 tp -104.56 131.8 51.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.99 95.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.566 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.5 mp -96.08 124.69 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.08 30.87 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.566 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -150.2 144.9 12.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -73.43 -49.29 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.24 99.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.403 ' NE ' ' HB3' ' A' ' 348' ' ' LEU . 4.7 mtm180 -62.19 -55.36 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.685 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.634 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 26.1 t80 -60.27 -20.58 59.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.08 -40.58 62.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.207 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' B' ' 341' ' ' PHE . 1.8 ptm -69.79 -40.09 76.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.001 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' B' ' 340' ' ' MET . 3.0 m-85 -72.02 -28.97 63.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -75.48 -41.27 55.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' B' ' 348' ' ' LEU . 36.2 mt -73.8 -31.71 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.604 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.01 -31.93 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.85 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -71.74 -41.51 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.36 -31.58 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.99 -34.25 77.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -62.17 -31.46 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.06 -37.44 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.52 70.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -142.47 119.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.73 158.39 35.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.699 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.9 OUTLIER -147.43 133.98 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . 0.536 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -110.16 82.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.699 ' CD1' HD22 ' C' ' 330' ' ' LEU . 28.0 mm -76.32 132.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -98.81 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.562 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -139.96 141.27 11.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -78.03 -53.48 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.47 -43.91 92.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.736 ' CG ' HD13 ' D' ' 348' ' ' LEU . 3.2 ttm180 -60.7 -53.1 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.745 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' D' ' 330' ' ' LEU . 51.7 t80 -60.33 -32.57 71.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.2 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -55.24 19.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.375 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.403 ' HE2' HD22 ' D' ' 344' ' ' LEU . 5.0 m-85 -58.75 -25.96 63.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.992 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.33 32.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.85 -31.27 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.756 ' O ' HD12 ' C' ' 348' ' ' LEU . 2.1 mp -71.45 -39.32 71.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.584 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -64.24 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.15 -37.01 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.68 -31.35 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.756 HD12 ' O ' ' C' ' 344' ' ' LEU . 1.2 mt -79.84 -27.19 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.12 -30.83 43.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.27 -32.87 59.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.53 -30.69 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -31.43 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.81 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -142.51 129.1 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -81.14 146.23 26.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.583 HD22 ' CG1' ' D' ' 332' ' ' ILE . 0.4 OUTLIER -134.34 132.49 39.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.73 91.16 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.583 ' CG1' HD22 ' D' ' 330' ' ' LEU . 4.7 mt -103.37 118.57 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -98.14 36.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.459 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -143.3 132.35 4.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -67.76 -51.36 50.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.74 ' HD2' HD13 ' C' ' 348' ' ' LEU . 1.1 tpp180 -63.67 -56.31 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.0 t80 -59.8 -31.42 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.66 -36.98 85.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.408 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.62 -57.46 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.8 m-85 -62.01 -25.87 67.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -73.91 -41.03 62.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -30.28 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.986 HD11 HD22 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -74.97 -31.58 61.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.712 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.48 ' ND2' HG23 ' C' ' 332' ' ' ILE . 20.5 t-20 -73.07 -40.71 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.4 -32.28 62.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.584 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -78.12 -30.92 49.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.736 HD13 ' CG ' ' C' ' 337' ' ' ARG . 3.1 mt -76.85 -29.62 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.73 -30.17 62.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.22 -36.66 77.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.68 -40.91 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.84 74.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.92 123.56 41.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.39 26.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 338' ' ' PHE . 1.1 tt -130.96 132.27 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.63 87.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.619 HG13 HD22 ' A' ' 330' ' ' LEU . 3.7 mp -83.23 131.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 75.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.96 127.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -38.54 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -72.3 -44.49 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.69 ' CG ' HD13 ' B' ' 348' ' ' LEU . 7.5 ttm180 -60.67 -52.99 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CD1' HD13 ' A' ' 332' ' ' ILE . 17.1 t80 -60.62 -31.94 71.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.16 -37.55 87.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.439 ' O ' HD12 ' A' ' 344' ' ' LEU . 6.7 ttm -65.98 -56.77 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.298 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -60.57 -26.88 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -72.3 -43.0 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.48 -31.19 63.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.453 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.758 ' HG ' HD11 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 179.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.627 HD22 HD21 ' B' ' 330' ' ' LEU . 41.5 t30 -70.92 -43.81 67.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.21 -31.48 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.72 -30.63 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 344' ' ' LEU . 1.2 mt -76.07 -30.94 58.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -72.36 -31.42 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.411 HD21 HE22 ' D' ' 354' ' ' GLN . 2.3 mt -69.06 -40.14 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.704 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 15.3 mtpt -62.03 -31.21 71.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.36 -36.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.62 84.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.453 ' NE2' HD11 ' D' ' 350' ' ' LEU . 4.6 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 19.2 m-85 -107.75 144.79 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.25 146.26 16.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.645 HD22 HG13 ' B' ' 332' ' ' ILE . 4.9 tt -138.16 145.26 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . 0.533 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -97.49 82.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.645 HG13 HD22 ' B' ' 330' ' ' LEU . 3.7 mp -75.77 119.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -97.11 77.21 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.5 141.72 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -77.53 -38.05 49.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -45.32 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.576 ' CG ' HD13 ' A' ' 348' ' ' LEU . 6.7 ttm180 -60.62 -53.1 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.776 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE2' HD12 ' A' ' 330' ' ' LEU . 15.9 t80 -61.14 -31.96 71.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.62 -37.03 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.533 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -56.35 10.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.364 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.2 m-85 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -74.77 -44.65 48.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.04 -33.85 70.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.066 HD22 HD11 ' C' ' 344' ' ' LEU . 54.7 mt -72.33 -29.37 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.729 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -71.91 -42.58 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.17 -36.0 71.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.64 -31.37 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.736 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.83 -30.45 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.49 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -61.45 -33.76 74.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.2 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.52 123.56 50.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.16 122.78 7.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.753 HD22 HD11 ' C' ' 332' ' ' ILE . 0.9 OUTLIER -106.26 126.8 52.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.78 95.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.753 HD11 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -111.06 133.88 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -100.37 71.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.19 134.25 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.27 -44.52 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.0 -47.05 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.414 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 11.2 ttm180 -60.12 -52.64 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.54 -31.9 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.73 -38.97 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.441 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -65.62 -58.19 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.189 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.414 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -62.38 -27.16 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.41 -41.65 46.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.5 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.47 -31.32 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.493 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 1.066 HD11 HD22 ' B' ' 344' ' ' LEU . 5.0 tp -72.63 -32.91 66.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.566 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.26 -44.03 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.84 -33.51 76.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.517 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -68.32 -40.53 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.714 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.9 mm? -63.49 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.714 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -31.19 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.34 -38.74 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.2 -36.33 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -32.12 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.8 142.2 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.7 124.05 6.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' D' ' 332' ' ' ILE . 11.3 tp -90.79 89.76 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -73.48 82.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.576 HG22 ' H ' ' D' ' 334' ' ' GLY . 25.9 mm -104.67 126.58 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.91 32.07 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.576 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -144.05 130.41 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -36.79 83.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.37 -51.11 21.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -58.74 -48.7 80.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' C' ' 330' ' ' LEU . 16.3 t80 -61.19 -33.54 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -64.46 -55.54 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.486 ' HE2' HD23 ' C' ' 344' ' ' LEU . 4.6 m-85 -58.83 -28.0 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -73.95 -48.97 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.52 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.74 -31.67 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.251 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.784 ' O ' HD13 ' D' ' 348' ' ' LEU . 2.7 mm? -69.85 -46.85 64.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.406 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.61 -38.45 87.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.49 -46.5 66.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.704 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -66.67 -29.0 68.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.784 HD13 ' O ' ' D' ' 344' ' ' LEU . 6.3 mp -69.91 -37.24 75.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.46 -31.14 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.453 HD11 ' NE2' ' A' ' 354' ' ' GLN . 4.0 mm? -61.72 -39.65 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -59.81 -37.67 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.9 -40.85 96.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.13 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.411 HE22 HD21 ' A' ' 350' ' ' LEU . 73.4 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 56.7 m-85 -146.65 125.06 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.88 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' B' ' 338' ' ' PHE . 0.4 OUTLIER -108.22 142.46 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.07 115.22 4.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.443 HG23 ' HD2' ' A' ' 337' ' ' ARG . 3.9 mp -122.88 112.89 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.149 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.24 73.0 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.25 145.78 7.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttp-105 -78.23 -56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.39 -39.95 92.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.443 ' HD2' HG23 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -62.73 -55.8 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.668 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.58 ' CD1' HD12 ' B' ' 330' ' ' LEU . 58.9 t80 -60.99 -31.56 71.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.02 -37.17 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.589 ' O ' HD23 ' A' ' 344' ' ' LEU . 5.9 ttm -65.58 -56.31 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.316 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.6 -26.04 60.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -47.75 60.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.455 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.52 -30.3 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.23 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 340' ' ' MET . 4.0 mm? -70.41 -43.76 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -41.48 97.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.739 ' O ' HD23 ' A' ' 350' ' ' LEU . 11.9 pt-20 -75.51 -31.07 60.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.78 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.974 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.888 HD13 ' CG ' ' B' ' 337' ' ' ARG . 3.2 mt -78.97 -28.65 43.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.8 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.91 -27.34 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.5 mm? -73.15 -39.01 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -27.36 67.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.72 -31.59 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.11 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -133.08 106.31 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.07 135.26 25.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.58 HD12 ' CD1' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -123.67 128.55 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.32 112.38 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.602 HD12 ' N ' ' B' ' 332' ' ' ILE . 3.2 mp -110.15 138.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -106.48 31.04 5.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.589 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -147.18 144.54 12.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.92 -37.31 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -72.86 -46.19 54.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.888 ' CG ' HD13 ' A' ' 348' ' ' LEU . 5.9 ttm180 -59.57 -51.12 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.564 ' HD2' HD13 ' B' ' 332' ' ' ILE . 23.0 t80 -60.34 -35.09 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.618 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -61.24 -37.91 84.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.81 -56.2 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.508 ' HB2' HD13 ' A' ' 330' ' ' LEU . 5.7 m-85 -58.62 -26.4 63.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -44.09 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.81 -31.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -74.93 -33.9 62.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.628 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -71.87 -39.13 69.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -27.11 47.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.98 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.639 HD12 ' O ' ' B' ' 344' ' ' LEU . 11.9 mt -82.54 -25.47 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.17 -31.17 30.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.77 HD12 ' N ' ' B' ' 351' ' ' LYS . 4.1 pp -79.44 -27.71 41.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.796 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.77 ' N ' HD12 ' B' ' 350' ' ' LEU . 15.3 ttpp -78.83 -34.3 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.711 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.7 -30.82 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.35 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -126.15 123.82 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.86 135.73 14.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.519 HD22 HG13 ' C' ' 332' ' ' ILE . 0.8 OUTLIER -117.78 131.62 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . 0.486 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -103.83 100.94 1.94 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.694 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.8 mp -113.22 149.37 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -129.52 76.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.07 124.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -60.82 -37.66 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.41 -46.06 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.517 ' NE ' HD23 ' D' ' 348' ' ' LEU . 6.6 ttm105 -60.13 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.613 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.275 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -59.84 -36.57 77.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.421 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -59.5 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.144 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' C' ' 337' ' ' ARG . 8.7 m-85 -58.02 -22.24 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.211 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -44.46 50.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.463 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -30.63 67.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 344' ' ' LEU . 1.7 mt -72.31 -39.33 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.674 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.3 -39.47 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.473 ' O ' HD12 ' C' ' 350' ' ' LEU . 8.5 mt-10 -71.81 -42.36 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' HD3' ' B' ' 351' ' ' LYS . . . -71.63 -28.77 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.8 tp -74.34 -34.14 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.26 -29.91 67.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.473 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.2 mp -65.89 -38.87 89.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -58.6 -31.7 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.16 -30.8 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.52 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -123.88 152.42 42.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -132.27 139.39 10.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.524 HD23 ' N ' ' D' ' 331' ' ' GLY . 0.7 OUTLIER -131.15 146.25 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . 0.524 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -106.37 82.49 0.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.498 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -84.46 119.74 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -100.94 72.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.7 123.41 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.86 91.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.161 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.56 -52.22 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.208 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.403 ' HD2' HG22 ' D' ' 332' ' ' ILE . 3.7 ptp180 -65.35 -39.82 92.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.719 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -69.84 -32.41 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.258 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -65.72 -56.85 9.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.78 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -77.37 -43.26 33.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.488 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.36 -30.51 66.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.77 ' O ' HD13 ' D' ' 348' ' ' LEU . 5.1 mp -75.35 -43.6 49.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.488 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.694 ' OD1' HG23 ' C' ' 332' ' ' ILE . 3.1 t30 -68.6 -32.95 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -74.01 -44.92 52.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.519 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.6 -27.5 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.77 HD13 ' O ' ' D' ' 344' ' ' LEU . 5.6 mp -72.21 -38.16 69.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.691 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.28 -46.47 80.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -60.24 -33.2 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -35.94 78.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.08 126.8 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.85 144.58 36.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.662 HD13 ' CE1' ' B' ' 338' ' ' PHE . 11.0 tp -146.51 137.79 24.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.23 82.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.579 HD13 ' HD2' ' A' ' 341' ' ' PHE . 3.9 mt -86.57 130.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -103.68 83.25 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.07 125.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -60.54 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.91 -38.2 81.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.541 ' HE ' HD12 ' B' ' 348' ' ' LEU . 2.7 tpt180 -63.2 -56.24 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 15.5 t80 -62.13 -32.44 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.414 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.33 -33.9 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.327 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.4 mtp -67.99 -57.46 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.272 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.579 ' HD2' HD13 ' A' ' 332' ' ' ILE . 2.8 m-85 -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.692 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -76.59 -45.53 29.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.353 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -69.12 -31.79 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.648 HD11 HD21 ' D' ' 344' ' ' LEU . 3.1 mt -68.6 -39.34 80.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.61 -46.09 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.84 -32.76 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -75.17 -31.97 61.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.854 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.27 -34.77 70.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.64 -29.55 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.87 -35.11 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -68.21 -37.08 80.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -64.22 -32.53 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.05 -31.5 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.4 m-85 -125.13 151.06 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.77 154.81 16.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.881 HD23 HD11 ' B' ' 332' ' ' ILE . 38.9 tp -152.89 149.63 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.98 82.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.881 HD11 HD23 ' B' ' 330' ' ' LEU . 31.0 mm -71.4 115.82 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -96.1 77.4 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.54 140.53 2.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.64 -35.84 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -53.08 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -57.66 -49.06 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.662 ' CE1' HD13 ' A' ' 330' ' ' LEU . 74.9 t80 -61.44 -34.67 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.11 -37.26 84.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.415 ' O ' HD12 ' B' ' 344' ' ' LEU . 3.1 ttp -66.33 -55.97 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 5.3 m-85 -61.37 -26.97 68.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CD ' ' CE2' ' B' ' 338' ' ' PHE . 5.3 mtp180 -73.45 -42.28 62.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.51 -33.2 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.439 HD13 ' HE1' ' A' ' 341' ' ' PHE . 4.5 mt -71.53 -41.29 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.42 -39.07 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.97 80.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.722 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.26 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.541 HD12 ' HE ' ' A' ' 337' ' ' ARG . 0.8 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -57.74 -30.08 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.82 -36.49 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -66.95 -38.54 86.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -39.67 93.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.43 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 25.6 m-85 -142.65 147.19 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.95 134.28 11.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.587 HD23 HD11 ' C' ' 332' ' ' ILE . 22.8 tp -128.49 114.53 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.08 82.48 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.587 HD11 HD23 ' C' ' 330' ' ' LEU . 3.7 mp -86.19 131.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.67 70.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.25 140.96 4.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -78.35 -39.92 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -48.25 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.8 -52.06 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.736 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.9 t80 -62.03 -32.18 72.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.91 -36.96 85.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.612 ' O ' HD13 ' C' ' 344' ' ' LEU . 1.3 mtp -66.65 -55.62 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.357 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.8 m-85 -62.1 -28.24 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -44.9 26.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 110.441 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.5 -30.41 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.262 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.612 HD13 ' O ' ' C' ' 340' ' ' MET . 6.4 mp -72.38 -42.84 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.39 -36.28 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.11 -42.03 63.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.894 HD23 ' HG3' ' D' ' 337' ' ' ARG . 12.6 tp -78.9 -25.51 43.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.736 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.0 -29.17 58.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.84 -45.22 52.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -30.63 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.8 -30.39 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.48 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 29.5 m-85 -148.15 142.36 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.96 116.48 5.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 17.9 tp -109.04 130.09 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.75 82.43 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.566 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mp -83.49 123.36 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 31.19 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.566 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.13 128.93 5.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.26 -47.1 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.9 -40.7 72.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.894 ' HG3' HD23 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -61.96 -55.27 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.4 t80 -60.08 -33.69 72.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.85 -37.48 84.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.464 ' O ' HD23 ' D' ' 344' ' ' LEU . 6.3 ttm -64.87 -57.78 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 7.7 m-85 -58.07 -23.88 56.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -43.66 68.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.49 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -68.74 -31.59 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.738 ' O ' HD23 ' D' ' 348' ' ' LEU . 4.2 mm? -71.71 -44.46 64.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.574 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.02 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -75.15 -36.27 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -75.14 -30.18 60.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.738 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.9 mm? -76.77 -31.84 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -74.14 -31.45 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -31.41 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.76 -34.85 79.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.34 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 11.8 m-85 -108.36 151.43 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.52 157.81 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' B' ' 332' ' ' ILE . 5.2 mp -140.94 152.04 44.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.21 82.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.411 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 334' ' ' GLY . 20.2 mm -80.4 141.58 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.337 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 30.65 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -159.64 144.0 9.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -30.85 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -54.29 20.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -48.87 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.794 ' CE2' HD22 ' B' ' 330' ' ' LEU . 24.2 t80 -62.62 -31.95 72.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -37.46 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -57.01 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.77 -26.78 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -73.63 -44.96 55.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.525 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -72.13 -31.69 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.64 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.48 -33.79 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.21 -43.48 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.98 -30.61 58.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.657 HD13 ' HD2' ' B' ' 337' ' ' ARG . 2.4 mt -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.99 -33.81 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.76 -33.17 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -63.71 -34.62 78.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -41.88 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.23 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.766 0.317 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 61.7 m-85 -101.0 118.41 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.09 138.07 13.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.794 HD22 ' CE2' ' A' ' 338' ' ' PHE . 1.2 pt? -145.72 149.4 34.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -131.73 113.0 1.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.576 HD11 HD12 ' B' ' 330' ' ' LEU . 3.6 mp -102.24 152.32 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.27 38.1 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.33 143.18 14.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -55.27 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -59.65 -48.31 82.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.657 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.31 -53.06 62.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.651 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.51 ' CD2' HD11 ' A' ' 330' ' ' LEU . 16.3 t80 -63.79 -32.03 73.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.65 -35.86 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.0 ttp -67.46 -58.98 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -61.93 -23.68 66.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.9 32.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -32.44 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.866 HD11 HD11 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -73.83 -31.64 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -40.81 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.691 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.72 -41.52 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.29 -31.29 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.1 mm? -72.06 -31.16 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.64 -31.51 71.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -37.68 81.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.64 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -68.11 -31.26 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.19 -45.8 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.435 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.437 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 6.3 m-85 -107.62 142.2 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.64 119.39 6.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.821 HD23 HD11 ' C' ' 332' ' ' ILE . 14.1 tp -97.82 114.6 26.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.75 84.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.821 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -92.53 128.77 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -105.7 35.19 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.552 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -148.2 141.56 9.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -74.86 -39.57 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -72.22 -44.86 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.608 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -60.13 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.15 -33.99 72.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -37.36 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.669 ' O ' HD23 ' C' ' 344' ' ' LEU . 0.0 OUTLIER -65.72 -57.38 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.336 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 4.7 m-85 -60.4 -26.99 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -76.32 -46.49 27.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.485 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.79 -31.75 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.866 HD11 HD11 ' B' ' 344' ' ' LEU . 4.0 mm? -69.75 -45.56 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.365 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.451 ' HA ' HD12 ' C' ' 348' ' ' LEU . 52.6 t30 -61.84 -39.91 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.77 -38.73 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.81 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.69 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.778 HD22 ' CZ ' ' D' ' 337' ' ' ARG . 13.5 mt -68.89 -43.44 75.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.12 -25.56 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.435 HD21 ' NE2' ' B' ' 354' ' ' GLN . 2.1 tp -70.79 -34.65 71.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.744 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -62.67 -33.13 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.68 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -141.27 136.67 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.79 134.55 11.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.09 121.11 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.67 119.73 6.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.429 HG22 ' H ' ' D' ' 334' ' ' GLY . 4.6 mt -127.33 133.25 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.65 37.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.429 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -134.28 134.81 7.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -42.15 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.45 -46.43 32.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.778 ' CZ ' HD22 ' C' ' 348' ' ' LEU . 1.5 tpp180 -60.62 -53.34 58.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 21.2 t80 -61.9 -32.52 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.28 -36.22 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.244 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.426 ' O ' HD12 ' D' ' 344' ' ' LEU . 8.9 ttm -66.22 -60.59 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.75 -25.46 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -74.67 -41.49 60.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 110.581 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.92 -32.62 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 344' ' ' LEU . 1.8 mp -70.62 -35.24 72.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.671 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.472 HD21 HG23 ' C' ' 332' ' ' ILE . 2.4 t-20 -67.6 -43.21 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.414 ' O ' HD12 ' D' ' 350' ' ' LEU . 41.3 mt-10 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.16 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.608 HD13 ' HG3' ' C' ' 337' ' ' ARG . 1.2 mt -79.03 -34.94 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.665 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -26.1 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.414 HD12 ' O ' ' D' ' 346' ' ' GLU . 10.0 mt -72.7 -32.97 66.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.54 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 2.1 ptpp? -76.86 -28.48 55.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -77.88 -31.75 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.58 -31.29 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -145.36 152.25 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.83 112.77 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.618 HD13 ' CE1' ' B' ' 338' ' ' PHE . 22.9 tp -95.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.11 86.88 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.461 HD13 ' ND2' ' B' ' 345' ' ' ASN . 23.9 mm -96.09 140.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.29 79.55 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.32 124.04 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.33 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.32 -42.81 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 3.0 tpp180 -60.93 -53.91 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' B' ' 330' ' ' LEU . 17.2 t80 -61.88 -35.7 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.386 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.47 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.366 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.591 ' O ' HD13 ' A' ' 344' ' ' LEU . 23.6 ttp -66.31 -57.76 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.28 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.4 m-85 -58.99 -29.28 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.73 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.197 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.76 -28.79 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.232 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.785 HD21 HD21 ' D' ' 344' ' ' LEU . 6.0 mp -70.32 -44.23 68.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.479 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -60.55 -39.97 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -67.39 -48.05 68.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.34 66.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.897 HD23 ' HD2' ' B' ' 337' ' ' ARG . 2.9 mp -74.24 -30.31 62.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.15 -30.4 67.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -66.67 -40.81 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.696 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 5.6 mtpm? -59.8 -34.06 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.07 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -139.02 147.4 42.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.16 130.49 10.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.613 HD22 ' CG1' ' B' ' 332' ' ' ILE . 0.4 OUTLIER -112.5 103.4 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.41 82.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.613 ' CG1' HD22 ' B' ' 330' ' ' LEU . 33.3 mt -95.94 140.09 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.085 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -115.96 66.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.63 135.71 3.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -75.62 -43.08 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.16 -41.5 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.897 ' HD2' HD23 ' A' ' 348' ' ' LEU . 1.7 tpp180 -61.95 -55.63 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.656 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 330' ' ' LEU . 16.1 t80 -60.1 -32.94 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.339 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -36.09 79.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.233 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttp -66.76 -61.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.953 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.403 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 7.6 m-85 -60.75 -24.19 65.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.24 -29.59 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' C' ' 344' ' ' LEU . 4.9 mp -74.8 -39.47 61.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.461 ' ND2' HD13 ' A' ' 332' ' ' ILE . 53.5 t30 -72.34 -36.34 68.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.51 -27.04 60.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.659 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.16 -40.9 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.622 HD12 ' N ' ' B' ' 349' ' ' GLU . 4.6 pp -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . 0.622 ' N ' HD12 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -73.58 -28.99 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.611 179.69 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -35.47 80.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -61.28 -33.71 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.32 -45.96 91.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 26.1 m-85 -139.1 140.43 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.28 118.26 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' C' ' 332' ' ' ILE . 1.2 tt -101.67 133.34 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . 0.52 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -98.86 91.18 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.813 ' CD1' HD22 ' C' ' 330' ' ' LEU . 25.2 mm -94.07 132.5 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -116.01 31.08 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.598 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -144.25 142.6 11.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -53.5 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.5 -49.44 77.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -59.79 -47.14 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.456 ' HB2' HG21 ' C' ' 332' ' ' ILE . 30.9 t80 -61.85 -33.17 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.629 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.28 -41.09 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.621 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.77 -53.31 52.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.44 ' HE1' HD22 ' D' ' 344' ' ' LEU . 2.6 m-85 -61.04 -29.0 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -69.13 -41.64 77.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.724 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -35.39 76.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 344' ' ' LEU . 1.2 mp -69.03 -39.37 79.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -63.6 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.17 -47.85 66.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.646 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.91 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.841 HD22 ' HG2' ' D' ' 337' ' ' ARG . 10.1 tp -71.31 -41.74 69.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 -28.76 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -31.37 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -66.6 -31.41 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.46 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -126.2 148.96 49.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -120.6 137.53 12.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.469 HD12 HD11 ' D' ' 332' ' ' ILE . 1.4 pt? -138.18 152.56 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -128.15 100.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.469 HD11 HD12 ' D' ' 330' ' ' LEU . 28.3 mm -91.67 138.81 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.11 31.61 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.462 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -132.6 122.4 3.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -52.59 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -46.07 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.841 ' HG2' HD22 ' C' ' 348' ' ' LEU . 0.1 OUTLIER -60.0 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 26.3 t80 -61.41 -34.28 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.48 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.24 -36.52 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.69 -57.27 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.341 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.619 ' HE1' HD22 ' C' ' 344' ' ' LEU . 8.3 m-85 -57.64 -26.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -47.62 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.63 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.83 -32.28 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.785 HD21 HD21 ' A' ' 344' ' ' LEU . 1.3 mp -69.39 -35.66 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.627 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -66.0 -45.52 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.696 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -74.34 -31.36 62.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.2 -37.02 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -43.61 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.19 -33.35 75.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -31.15 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -146.33 146.24 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.0 130.55 10.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 341' ' ' PHE . 14.3 mt -106.81 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.13 88.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 330' ' ' LEU . 3.9 mp -108.15 149.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -100.17 32.74 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.37 131.31 6.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -78.12 -36.49 47.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.82 -50.17 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' HG3' HD13 ' B' ' 348' ' ' LEU . 8.0 ttm180 -59.21 -51.38 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 18.1 t80 -61.69 -31.75 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.96 -38.19 90.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.438 ' O ' HD12 ' A' ' 344' ' ' LEU . 26.9 ttp -65.76 -56.72 10.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.357 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.435 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.7 m-85 -60.61 -26.38 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -72.58 -43.25 63.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 -32.1 67.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.799 HD23 HD11 ' D' ' 344' ' ' LEU . 1.2 mp -71.78 -32.75 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.587 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.41 -44.46 71.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.746 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.07 -38.17 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.78 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -70.13 -30.92 68.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.743 HD13 ' HD3' ' A' ' 351' ' ' LYS . 0.4 OUTLIER -70.33 -37.39 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.79 -31.06 70.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -46.4 55.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.743 ' HD3' HD13 ' A' ' 348' ' ' LEU . 4.0 ptmm? -68.78 -29.61 68.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.39 -31.34 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.6 m-85 -117.58 134.72 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.39 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.605 HD13 HD11 ' B' ' 332' ' ' ILE . 0.7 OUTLIER -111.07 132.2 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . 0.463 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -101.73 94.91 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.605 HD11 HD13 ' B' ' 330' ' ' LEU . 3.8 mp -113.67 125.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -100.84 70.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.46 138.54 4.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -35.21 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -48.59 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.408 ' HB3' HG21 ' B' ' 332' ' ' ILE . 0.4 OUTLIER -58.95 -50.52 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE2' ' HG ' ' A' ' 330' ' ' LEU . 51.5 t80 -59.93 -34.94 73.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.35 -39.12 86.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.6 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -65.23 -56.29 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.357 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD11 ' A' ' 330' ' ' LEU . 2.9 m-85 -62.87 -28.84 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -77.85 -41.49 36.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.0 110.547 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.44 -31.03 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.698 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.5 OUTLIER -73.73 -32.93 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.582 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.98 -42.23 69.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.721 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.61 -34.91 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.457 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -75.93 -30.69 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 344' ' ' LEU . 4.3 mt -75.22 -30.25 60.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -71.06 -30.99 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -34.52 76.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.7 -41.08 97.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.17 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 19.6 m-85 -110.72 143.54 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.8 107.29 2.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.706 HD12 ' CZ ' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -94.54 138.78 32.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.57 83.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.749 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -91.34 127.36 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -100.11 31.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.576 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -134.63 131.34 5.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -77.19 -40.03 46.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -66.44 -58.42 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.523 ' HG3' HG21 ' C' ' 332' ' ' ILE . 13.0 ptp180 -57.79 -42.03 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.31 -33.74 76.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.66 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.18 -38.6 91.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.428 ' O ' HD12 ' C' ' 344' ' ' LEU . 44.9 mtm -64.77 -53.37 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -59.37 -29.5 67.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -70.95 -47.21 60.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.647 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.698 ' CG ' HD21 ' B' ' 344' ' ' LEU . 0.8 OUTLIER -69.26 -34.96 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.619 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.4 -46.47 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.681 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -67.87 -36.13 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.698 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.17 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -39.21 76.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.779 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.46 -29.38 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -37.76 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 347' ' ' ALA . 1.9 ttmm -64.18 -35.47 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.26 -36.42 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.33 62.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -137.88 146.92 43.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.96 105.24 3.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -90.11 111.43 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.33 84.85 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.32 137.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.75 79.31 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.36 122.52 0.7 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.42 -46.71 89.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.8 -47.79 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.6 tpp180 -60.24 -52.88 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.706 ' CZ ' HD12 ' C' ' 330' ' ' LEU . 23.0 t80 -62.25 -31.2 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -36.37 83.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 mtm -66.53 -56.75 9.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.407 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.624 ' HE1' HD22 ' C' ' 344' ' ' LEU . 4.0 m-85 -61.67 -27.27 68.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.51 ' HA ' HD11 ' C' ' 330' ' ' LEU . 3.4 ttt85 -74.09 -42.7 59.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.57 -32.17 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.799 HD11 HD23 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -72.2 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.661 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.749 ' OD1' HG23 ' C' ' 332' ' ' ILE . 0.7 OUTLIER -70.52 -43.52 69.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.722 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.39 -36.66 83.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.8 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.5 -33.33 75.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.21 -41.45 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.78 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 24.2 mttm -65.06 -31.74 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.2 -37.98 86.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -146.92 125.23 12.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.08 145.88 20.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.804 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.2 tt -128.32 139.58 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.586 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -106.96 90.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.804 ' CD1' HD22 ' A' ' 330' ' ' LEU . 24.5 mm -94.24 126.12 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.65 30.25 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.578 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -142.83 136.38 7.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -35.87 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.03 -47.28 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' B' ' 348' ' ' LEU . 8.4 ttm180 -60.18 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.424 ' CE2' ' HG ' ' B' ' 330' ' ' LEU . 17.6 t80 -60.49 -31.74 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -39.01 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.372 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -65.41 -58.28 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.253 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' B' ' 330' ' ' LEU . 4.3 m-85 -60.52 -25.1 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -72.03 -40.3 68.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.94 -31.64 63.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' D' ' 344' ' ' LEU . 10.1 mt -75.07 -31.33 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -73.28 -38.39 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.707 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.5 mm-40 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.646 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -74.25 -33.92 63.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.69 HD13 ' CG ' ' B' ' 337' ' ' ARG . 3.4 mt -75.14 -27.09 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.05 -31.9 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.4 mm? -74.0 -43.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -29.66 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.9 -30.66 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.06 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -105.27 150.26 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.74 119.49 5.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.725 HD22 HD11 ' B' ' 332' ' ' ILE . 0.8 OUTLIER -106.35 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.49 5.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.725 HD11 HD22 ' B' ' 330' ' ' LEU . 3.9 mt -127.18 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -99.53 31.23 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.562 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -146.64 125.04 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.39 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.48 -44.34 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.69 ' CG ' HD13 ' A' ' 348' ' ' LEU . 13.9 mtm180 -60.09 -52.01 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 16.9 t80 -59.37 -33.07 70.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.706 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.24 -39.76 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttp -65.18 -55.18 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -74.82 -44.52 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.555 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.11 -29.39 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.375 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.789 ' O ' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -74.82 -39.13 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 179.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -67.15 -35.78 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.528 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.14 -46.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.574 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.2 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.789 HD13 ' O ' ' B' ' 344' ' ' LEU . 5.5 mp -71.27 -36.49 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.723 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.66 -30.52 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.38 -46.39 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -63.26 -34.45 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -31.55 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.86 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 39.0 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 3.9 m-85 -109.49 144.39 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.55 111.82 3.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' D' ' 330' ' ' LEU . 0.7 OUTLIER -96.26 129.62 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . 0.423 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -109.51 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.633 ' CD1' HD22 ' C' ' 330' ' ' LEU . 3.7 mp -108.92 153.22 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -122.94 44.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.15 146.84 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -65.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.5 -36.37 75.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.486 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.2 OUTLIER -63.34 -55.81 21.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 17.0 t80 -60.76 -33.58 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.412 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -35.4 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.267 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -66.87 -59.07 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.72 -26.87 67.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -74.48 -43.53 55.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.9 -29.84 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.326 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -73.89 -33.93 64.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.569 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.69 -43.86 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.704 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.433 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.6 tp10 -70.78 -31.39 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -71.12 -35.56 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.683 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.88 -30.66 71.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.433 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.6 mm? -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -65.36 -30.76 71.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.78 -31.36 64.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.07 -34.13 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 13.3 m-85 -106.45 123.53 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.89 140.46 15.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.899 HD12 HD11 ' D' ' 332' ' ' ILE . 2.1 pt? -141.35 152.62 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.36 93.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.899 HD11 HD12 ' D' ' 330' ' ' LEU . 29.7 mm -94.7 118.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.106 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -99.49 74.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.11 127.77 1.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -71.38 -47.88 53.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.0 -46.48 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -51.2 71.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.427 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 32.3 t80 -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.71 -38.73 86.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -64.54 -55.17 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.1 m-85 -59.68 -27.94 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.98 -45.61 49.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.57 -31.9 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.783 ' O ' HD23 ' D' ' 348' ' ' LEU . 45.2 mt -72.09 -32.39 66.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.89 -42.27 73.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -30.83 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.06 -34.65 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.783 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.8 mm? -71.44 -35.27 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.41 -28.09 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -41.2 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.682 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -69.95 -30.74 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.57 -31.46 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.94 51.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -152.91 131.57 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.55 126.32 7.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.872 HD23 HD11 ' A' ' 332' ' ' ILE . 17.4 tp -111.18 112.21 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -91.29 82.83 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.872 HD11 HD23 ' A' ' 330' ' ' LEU . 3.7 mp -86.68 145.45 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -114.72 39.52 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.71 136.69 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -77.29 -33.47 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.62 -55.32 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.495 ' HG3' HG21 ' A' ' 332' ' ' ILE . 8.2 ptp180 -58.17 -42.67 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.592 ' CD2' HD13 ' A' ' 332' ' ' ILE . 28.4 t80 -63.9 -36.24 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.47 -38.57 87.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.618 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -53.68 44.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.407 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 2.8 m-85 -59.67 -29.78 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -71.06 -46.61 61.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.898 HD11 HD21 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -73.81 -35.63 64.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.6 -38.41 80.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -68.21 -40.26 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -67.3 -42.68 83.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.14 -28.03 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.66 HD23 ' CD ' ' D' ' 354' ' ' GLN . 4.2 mp -70.13 -48.54 57.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -62.85 -30.69 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.75 -33.67 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.56 -32.64 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -143.4 134.93 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.89 122.3 7.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.55 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.616 HD23 ' N ' ' B' ' 331' ' ' GLY . 1.5 tt -108.54 138.71 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . 0.616 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -100.52 104.14 2.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' B' ' 337' ' ' ARG . 3.8 mp -108.78 127.01 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -106.5 31.36 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.593 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -141.61 131.08 4.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -62.95 -54.96 30.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -64.37 -37.47 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.636 ' HD2' HG23 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -63.14 -55.91 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.729 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.582 ' CD1' HD13 ' B' ' 332' ' ' ILE . 16.6 t80 -60.6 -31.77 70.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.64 -36.08 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttm -66.95 -56.04 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -27.24 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.68 -45.64 51.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.51 -31.08 66.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.857 HD11 HD21 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -72.54 -32.99 66.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.533 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 332' ' ' ILE . 3.0 t30 -69.28 -43.78 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.767 ' O ' HD23 ' B' ' 350' ' ' LEU . 12.7 pt-20 -70.73 -32.26 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -31.38 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -72.74 -36.48 67.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -67.43 -31.27 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.767 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -67.5 -39.63 85.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 30.9 mtpt -60.43 -31.26 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -63.94 -37.3 86.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.53 97.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -153.63 151.69 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -142.34 139.41 9.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' D' ' 338' ' ' PHE . 1.4 pt? -135.27 152.34 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.91 127.36 9.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.496 HD11 ' HG ' ' C' ' 330' ' ' LEU . 3.9 mp -122.7 147.18 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -118.21 78.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.67 144.99 4.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -75.22 -46.98 30.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.63 -32.07 73.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.487 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -65.96 -59.75 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.595 ' CE2' HD13 ' D' ' 330' ' ' LEU . 16.6 t80 -62.44 -30.69 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.249 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.87 -33.1 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.195 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -68.15 -58.93 3.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -63.69 -26.39 68.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -77.05 -38.43 52.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.523 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.55 -31.23 57.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.857 HD21 HD11 ' B' ' 344' ' ' LEU . 1.5 tp -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.557 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -73.31 -44.76 58.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.03 -34.13 68.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -75.42 -30.74 60.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.658 HD12 ' O ' ' C' ' 344' ' ' LEU . 5.5 mt -72.84 -33.62 66.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -66.32 -30.9 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.77 -47.01 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.85 -31.62 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -31.5 66.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.41 -31.19 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -141.41 140.32 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.82 120.49 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 1.06 HD23 HD11 ' D' ' 332' ' ' ILE . 19.9 tp -108.44 132.77 53.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -118.74 82.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 1.06 HD11 HD23 ' D' ' 330' ' ' LEU . 3.7 mp -83.36 146.96 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -114.93 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.82 148.15 6.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -77.81 -63.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.94 -35.86 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.649 ' CD ' HD13 ' C' ' 348' ' ' LEU . 3.3 tpp180 -63.71 -56.61 14.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' C' ' 330' ' ' LEU . 30.7 t80 -59.64 -32.46 70.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.312 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.466 ' O ' HD12 ' D' ' 344' ' ' LEU . 13.3 ttm -66.26 -59.91 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.164 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD23 ' C' ' 344' ' ' LEU . 4.1 m-85 -62.3 -24.98 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -77.43 -37.49 51.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.54 -29.58 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.898 HD21 HD11 ' A' ' 344' ' ' LEU . 1.1 mp -76.4 -32.12 58.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.669 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.12 -40.21 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.25 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.34 -31.23 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.96 -24.1 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -82.08 -32.86 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.719 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.5 pp -79.58 -29.09 41.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.719 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -80.78 -30.32 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.699 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.44 -29.69 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.89 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.66 ' CD ' HD23 ' A' ' 350' ' ' LEU . 9.8 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -121.88 109.55 14.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.55 142.04 15.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.853 ' CD1' HD11 ' A' ' 332' ' ' ILE . 1.4 pt? -136.35 141.21 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.91 106.15 2.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.853 HD11 ' CD1' ' A' ' 330' ' ' LEU . 3.5 mp -101.64 137.21 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -135.94 123.48 2.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -67.69 -34.75 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -46.97 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.464 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -60.3 -52.91 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.39 -32.28 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.6 -37.53 87.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.1 ttp -65.36 -55.32 18.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.01 -26.39 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -45.39 64.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.864 0.364 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.63 -30.32 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.089 HD21 HD22 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -75.03 -39.67 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.67 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -71.26 -34.85 71.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.17 -36.27 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -33.49 63.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.572 HD12 ' HD3' ' B' ' 337' ' ' ARG . 25.0 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -71.15 -30.57 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.63 -35.79 81.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 0.0 OUTLIER -65.04 -31.87 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.4 -32.75 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.86 78.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -133.57 147.16 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.81 141.71 15.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 1.019 HD22 HD11 ' B' ' 332' ' ' ILE . 0.9 OUTLIER -132.8 122.67 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.16 118.42 5.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 1.019 HD11 HD22 ' B' ' 330' ' ' LEU . 3.7 mp -129.86 138.95 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -100.65 31.41 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.475 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -130.78 112.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -33.68 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.28 -52.08 15.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.572 ' HD3' HD12 ' A' ' 348' ' ' LEU . 6.6 ttm180 -58.23 -48.94 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.694 ' CE2' HD22 ' A' ' 330' ' ' LEU . 16.5 t80 -61.53 -34.01 74.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.597 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.64 -38.17 86.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.474 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -65.36 -57.08 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.342 179.537 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.426 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.9 m-85 -60.43 -26.93 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -71.73 -41.44 68.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.548 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -30.74 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.483 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.877 HD21 HD21 ' C' ' 344' ' ' LEU . 1.2 mp -74.99 -31.99 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.688 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.72 HD21 HG23 ' A' ' 332' ' ' ILE . 27.1 t-20 -73.34 -40.25 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.95 -31.94 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.464 HD13 ' HG2' ' A' ' 337' ' ' ARG . 37.8 mt -76.67 -28.65 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -30.33 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.22 -35.03 79.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 23.7 mttt -60.55 -33.83 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.44 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.82 94.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 18.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.438 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 16.7 m-85 -133.27 147.13 51.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.82 120.46 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.458 HD23 ' CE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -101.05 110.18 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.98 117.41 5.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.495 HD11 HD12 ' D' ' 330' ' ' LEU . 18.0 mt -129.61 136.97 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -31.04 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -87.16 137.39 14.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -70.21 -38.17 75.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.66 -53.2 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' C' ' 342' ' ' ARG . 19.6 t80 -60.04 -31.54 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.83 -38.55 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -65.51 -56.85 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.663 ' HB2' HD11 ' D' ' 330' ' ' LEU . 4.5 m-85 -60.68 -27.05 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.773 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.434 ' HD2' ' CE1' ' C' ' 338' ' ' PHE . 1.7 tpm_? -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.542 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.39 -31.89 60.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.486 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.877 HD21 HD21 ' B' ' 344' ' ' LEU . 1.5 mp -75.4 -32.63 60.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.54 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.57 -40.02 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.69 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.556 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.2 mm-40 -71.32 -38.04 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.694 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.461 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -71.23 -31.51 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.478 HD13 ' HD3' ' C' ' 351' ' ' LYS . 1.2 mm? -71.57 -35.93 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.47 -31.37 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.556 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.3 mp -67.2 -42.21 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.478 ' HD3' HD13 ' C' ' 348' ' ' LEU . 11.6 mtpt -59.85 -34.52 73.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -64.17 -38.85 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -152.92 150.69 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.49 127.65 9.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' C' ' 341' ' ' PHE . 0.6 OUTLIER -107.22 118.35 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.78 101.31 2.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.637 HD11 HD22 ' D' ' 330' ' ' LEU . 3.1 mp -109.22 139.27 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.05 31.25 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.594 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.09 141.96 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -78.17 -36.56 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.46 -49.62 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.9 ttm105 -59.32 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.621 ' HD1' HD13 ' D' ' 332' ' ' ILE . 35.9 t80 -62.43 -33.46 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.3 -36.79 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -65.85 -55.55 16.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.4 m-85 -59.03 -25.61 63.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -45.26 63.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.599 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -71.2 -31.81 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 1.089 HD22 HD21 ' A' ' 344' ' ' LEU . 64.4 mt -73.68 -30.98 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.47 -40.65 70.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.99 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.684 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -68.23 -31.8 71.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.821 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.7 mm? -68.39 -41.64 80.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -24.54 60.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' D' ' 350' ' ' LEU . 8.7 tp -75.21 -36.97 61.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -29.74 64.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.21 -33.21 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.86 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 20.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.0 m-85 -131.9 137.85 48.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.23 125.61 8.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.8 OUTLIER -114.79 114.68 25.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.34 82.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.744 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.5 mm -80.58 108.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 84.69 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.54 142.82 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -77.27 -36.14 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -48.02 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.726 ' HG3' HD13 ' B' ' 348' ' ' LEU . 8.4 ttm180 -59.54 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' B' ' 330' ' ' LEU . 36.5 t80 -61.23 -32.62 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.51 -37.87 87.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.486 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -57.02 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.324 179.559 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' B' ' 330' ' ' LEU . 3.5 m-85 -61.64 -26.63 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -72.17 -40.31 68.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.476 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.37 -31.26 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.879 HD21 HD21 ' D' ' 344' ' ' LEU . 1.4 mp -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -75.46 -39.79 58.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.731 ' O ' HD23 ' A' ' 350' ' ' LEU . 38.1 mt-10 -72.89 -30.68 64.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.727 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.576 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -75.46 -36.31 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.818 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.3 mt -72.15 -31.69 66.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -69.61 -30.71 68.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.78 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.5 mm? -66.41 -43.06 86.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -60.99 -36.51 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.55 80.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -146.86 129.57 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.08 122.03 5.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.715 HD23 HD11 ' B' ' 332' ' ' ILE . 6.2 tp -106.1 100.97 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -88.51 116.15 4.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.715 HD11 HD23 ' B' ' 330' ' ' LEU . 3.8 mp -125.62 120.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -79.25 -31.24 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -84.76 125.13 7.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -61.49 -47.21 86.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.818 ' CG ' HD13 ' A' ' 348' ' ' LEU . 9.3 mtm180 -59.74 -51.71 68.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.0 t80 -60.04 -33.62 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.67 -39.56 91.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -64.45 -55.38 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.2 m-85 -59.13 -25.58 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.002 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -41.75 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.584 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -74.99 -31.25 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.716 ' O ' HD12 ' B' ' 348' ' ' LEU . 28.4 mt -76.26 -30.31 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -74.33 -38.02 63.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -74.83 -32.57 61.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.451 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -76.68 -31.16 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.7 OUTLIER -76.03 -32.61 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.898 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -30.32 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.46 75.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.13 -35.46 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.23 -31.72 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.947 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.36 141.79 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.81 121.35 6.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.679 HD22 HG13 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -105.54 135.04 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.76 84.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.679 HG13 HD22 ' C' ' 330' ' ' LEU . 3.9 mt -89.33 120.5 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.21 86.5 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.41 142.66 3.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.32 -60.93 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -60.2 -39.02 85.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 1.6 tpp180 -62.23 -54.57 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 15.7 t80 -60.35 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.343 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.22 -58.17 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.295 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.495 ' HE1' HD22 ' D' ' 344' ' ' LEU . 4.0 m-85 -60.59 -27.39 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -74.97 -44.97 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.515 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.74 -32.01 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.645 HD22 HD22 ' B' ' 344' ' ' LEU . 62.2 mt -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.38 -45.99 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.68 -38.96 87.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.725 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.94 -31.87 71.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -38.72 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.682 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.54 -31.1 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.43 -41.33 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 7.9 mmtp -58.51 -30.88 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.61 -31.5 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.35 -45.18 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.347 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.5 m-85 -116.74 146.7 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.65 126.3 8.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.748 HD23 HD11 ' D' ' 332' ' ' ILE . 32.2 tp -108.66 143.1 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.32 82.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.748 HD11 HD23 ' D' ' 330' ' ' LEU . 3.7 mp -100.84 115.83 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.43 34.03 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.455 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.38 125.62 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.03 -36.02 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -73.4 -51.58 16.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -58.41 -49.86 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' C' ' 330' ' ' LEU . 19.7 t80 -61.42 -33.41 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.22 -37.72 86.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.451 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -56.68 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.3 m-85 -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.22 -42.67 71.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.82 -30.2 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.879 HD21 HD21 ' A' ' 344' ' ' LEU . 1.8 mp -74.23 -36.49 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.654 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -39.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.12 -24.09 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -82.06 -33.35 29.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.862 HD12 ' N ' ' D' ' 349' ' ' GLU . 4.0 pp -77.33 -31.0 54.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.805 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . 0.862 ' N ' HD12 ' D' ' 348' ' ' LEU . 12.8 pt-20 -74.35 -27.56 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.638 179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -33.5 74.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.576 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 19.8 mttm -61.08 -33.38 73.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -61.76 -51.1 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -107.99 152.33 24.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.34 132.97 11.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.594 HD22 HG13 ' A' ' 332' ' ' ILE . 0.8 OUTLIER -116.5 135.9 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.346 . . . . 0.0 110.904 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -92.66 82.55 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.594 HG13 HD22 ' A' ' 330' ' ' LEU . 4.8 mt -93.59 112.77 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -92.24 80.24 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.85 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -32.92 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.66 -50.36 17.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.511 ' CD ' HD13 ' B' ' 348' ' ' LEU . 3.6 ttm105 -59.15 -51.48 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.734 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.677 ' CE2' HD12 ' B' ' 330' ' ' LEU . 44.0 t80 -61.86 -32.38 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.0 ttm -66.28 -56.65 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 5.3 m-85 -60.8 -27.73 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -74.77 -43.97 52.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 -32.03 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.769 HD21 HD11 ' D' ' 344' ' ' LEU . 0.8 OUTLIER -70.43 -40.49 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.592 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.64 -40.12 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.659 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.34 -45.09 89.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.12 -31.62 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.812 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.456 HD22 ' HG2' ' B' ' 337' ' ' ARG . 1.1 mp -66.14 -49.56 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.13 -30.61 71.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.41 -43.4 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -66.38 -30.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.17 -31.33 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.53 59.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -138.47 143.96 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.37 137.58 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.677 HD12 ' CE2' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -125.67 125.92 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.44 99.97 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.62 HD11 HD22 ' B' ' 330' ' ' LEU . 4.0 mp -107.26 124.53 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -83.38 77.47 9.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 117.59 0.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -45.27 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.88 -49.28 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.456 ' HG2' HD22 ' A' ' 348' ' ' LEU . 1.5 tpp180 -59.41 -50.95 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.787 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 16.5 t80 -62.29 -33.08 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.453 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.44 -37.1 84.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.38 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.2 -58.27 6.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.261 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.655 ' HE1' HD22 ' A' ' 344' ' ' LEU . 5.0 m-85 -59.87 -28.02 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.567 ' HA ' HD11 ' A' ' 330' ' ' LEU . 3.6 ttt180 -73.51 -42.5 61.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.94 -31.35 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.644 HD13 HD11 ' C' ' 344' ' ' LEU . 44.0 mt -70.85 -34.69 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.533 ' OD1' HG23 ' A' ' 332' ' ' ILE . 0.4 OUTLIER -70.14 -44.89 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.12 -30.5 66.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.755 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.476 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -76.5 -34.31 58.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.518 HD23 ' HE3' ' B' ' 351' ' ' LYS . 0.5 OUTLIER -73.29 -30.05 63.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.881 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.5 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -41.58 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.568 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 5.0 ptpt -69.93 -29.24 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.9 -31.42 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.64 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -152.72 112.93 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.89 114.84 4.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.711 HD22 HG13 ' C' ' 332' ' ' ILE . 0.7 OUTLIER -99.7 132.16 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.943 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.67 83.25 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.711 HG13 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -91.22 115.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -92.32 76.68 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.78 143.84 6.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -78.36 -48.49 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.22 -43.51 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.64 ' HG3' HD13 ' D' ' 348' ' ' LEU . 2.2 ttm180 -61.23 -53.79 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 16.4 t80 -61.26 -31.74 71.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.27 -36.14 83.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.8 mtp -67.4 -56.28 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.7 m-85 -62.88 -25.46 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -76.98 -41.69 41.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.59 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.01 -30.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.644 HD11 HD13 ' B' ' 344' ' ' LEU . 2.0 tp -75.42 -29.87 59.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -74.57 -40.9 61.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.572 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.3 OUTLIER -72.02 -34.54 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.568 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -74.94 -34.17 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.536 HD13 ' CG ' ' D' ' 337' ' ' ARG . 11.8 mt -72.45 -29.98 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.72 -30.76 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.572 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.1 mm? -62.89 -37.01 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 15.8 mttt -58.19 -35.97 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.58 -41.09 89.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.3 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 9.8 m-85 -105.29 123.81 48.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.27 141.8 17.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' D' ' 332' ' ' ILE . 0.8 OUTLIER -140.07 132.55 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . 0.481 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -97.4 82.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' D' ' 330' ' ' LEU . 3.8 mp -89.64 110.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -83.9 77.26 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.35 114.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.82 -37.47 82.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.45 -47.25 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.536 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.72 -51.62 69.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.894 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 17.0 t80 -60.65 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.62 -37.76 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.11 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 179.507 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.405 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.57 -26.67 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -71.38 -44.9 64.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -29.52 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.769 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -73.52 -36.9 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.628 179.709 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.07 -39.37 82.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.753 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' HD23 ' D' ' 350' ' ' LEU . 5.6 mm-40 -70.14 -39.01 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -70.86 -31.12 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.64 HD13 ' HG3' ' C' ' 337' ' ' ARG . 1.5 mt -75.49 -29.57 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.8 -31.13 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.486 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.9 mm? -74.89 -42.82 57.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -29.07 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.59 -31.2 52.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.09 62.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.979 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 13.8 m-85 -147.64 138.32 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.4 139.09 14.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.822 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.1 tt -128.4 127.02 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -95.63 82.14 0.84 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.822 ' CD1' HD22 ' A' ' 330' ' ' LEU . 25.4 mm -77.55 123.67 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 36.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.442 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.42 135.54 7.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -67.36 -66.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.27 -36.48 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.542 ' HG3' HD13 ' B' ' 348' ' ' LEU . 11.6 ttm180 -62.7 -55.25 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' B' ' 330' ' ' LEU . 74.2 t80 -59.95 -36.0 76.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.26 -35.42 77.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -66.4 -57.28 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.423 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.59 -27.54 68.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -41.16 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.38 -30.35 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.753 ' O ' HD12 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -74.18 -32.27 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.75 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.48 -41.47 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.67 -32.0 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.769 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.69 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.9 OUTLIER -76.09 -28.73 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.46 -29.56 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.781 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.24 -34.62 76.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -62.4 -31.44 72.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -31.47 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.06 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.949 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -113.11 142.0 46.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.05 115.9 4.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.799 HD12 ' CE2' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -107.16 135.56 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.41 86.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.606 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -88.93 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -124.29 74.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 159.5 146.52 4.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -76.7 -45.3 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -61.4 -45.91 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.693 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.85 -53.85 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 179.844 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 15.7 t80 -62.11 -31.82 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.404 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.29 -36.5 83.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.361 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -66.68 -58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.275 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.457 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 3.5 m-85 -63.22 -25.86 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -76.73 -38.51 54.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.562 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.3 -30.3 57.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.84 ' CD1' HD11 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -75.23 -30.93 60.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.765 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -74.6 -41.82 59.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.72 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 350' ' ' LEU . 41.7 tt0 -70.76 -31.78 68.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.29 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 337' ' ' ARG . 8.0 mt -70.56 -31.88 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.664 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -31.07 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.652 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -64.74 -45.08 87.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.471 ' HE2' ' HB2' ' C' ' 347' ' ' ALA . 10.5 ttmm -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -32.78 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.999 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -125.74 142.62 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.3 123.16 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.626 HD22 HD11 ' C' ' 332' ' ' ILE . 3.4 tt -109.14 135.92 49.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.06 115.4 5.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.659 HG21 ' HB2' ' C' ' 338' ' ' PHE . 3.7 mp -121.84 129.82 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -111.08 33.04 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.571 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -150.0 140.81 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -77.63 -41.64 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.49 -48.39 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 6.6 ttm180 -59.2 -50.82 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.659 ' HB2' HG21 ' C' ' 332' ' ' ILE . 21.7 t80 -60.53 -31.33 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.648 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -40.34 97.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 27.8 mtm -64.25 -54.28 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -58.75 -28.01 65.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -73.72 -49.79 23.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.557 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -30.97 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.994 HD12 HD11 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -69.47 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.471 179.543 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.36 -38.61 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.766 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.616 ' O ' HD23 ' C' ' 350' ' ' LEU . 7.8 tt0 -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.724 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.471 ' HB2' ' HE2' ' B' ' 351' ' ' LYS . . . -74.63 -30.23 61.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 179.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.994 HD11 HD12 ' C' ' 344' ' ' LEU . 9.3 mt -76.26 -28.95 57.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.29 -29.53 62.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.616 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.0 mm? -74.37 -45.34 47.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -28.53 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.96 -30.99 44.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.45 -31.18 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.46 144.85 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.01 137.48 13.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.696 HD22 HG13 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -119.77 122.5 41.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.15 82.93 0.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.696 HG13 HD22 ' D' ' 330' ' ' LEU . 4.6 mt -84.61 126.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.067 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 33.48 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.553 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -146.83 143.11 11.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -77.35 -42.56 36.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.61 ' HG2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.74 -51.81 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.48 ' HA ' HD13 ' D' ' 332' ' ' ILE . 17.1 t80 -59.3 -33.08 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -41.02 96.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 mtm -65.69 -55.98 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.288 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -63.24 -26.05 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -76.65 -42.28 42.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.562 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -31.98 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.753 ' CG ' HD21 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.26 -31.1 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.607 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.66 -43.22 66.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.47 -34.93 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.52 -29.47 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.491 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.4 mm? -73.17 -37.71 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.79 -28.3 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.81 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.43 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -74.26 -29.35 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.11 -30.71 55.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.77 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.9 m-85 -128.31 137.65 52.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.55 103.19 2.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.412 ' HG ' HD11 ' A' ' 332' ' ' ILE . 15.7 tp -88.87 123.49 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.33 3.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.645 HD13 ' CD2' ' B' ' 330' ' ' LEU . 3.5 mp -120.37 153.57 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -134.63 50.61 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.46 19.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -60.61 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -37.73 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.3 OUTLIER -63.36 -56.83 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' CB ' ' B' ' 328' ' ' PHE . 23.0 t80 -60.83 -31.62 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.39 -36.82 83.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.4 mtm -66.25 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.022 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.8 m-85 -60.1 -23.73 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -73.35 -42.95 61.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.384 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.45 -32.04 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.012 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.5 -33.68 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.503 ' ND2' HD12 ' B' ' 330' ' ' LEU . 10.2 m-20 -68.83 -43.28 75.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -72.72 -31.71 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.86 52.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -76.29 -30.08 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -72.72 -31.04 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.9 -36.72 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -61.45 -35.15 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -40.54 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.27 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.998 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.443 ' CB ' ' CD1' ' A' ' 338' ' ' PHE . 22.1 m-85 -110.71 145.46 37.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -133.72 144.39 16.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.645 ' CD2' HD13 ' A' ' 332' ' ' ILE . 1.9 pt? -144.08 134.65 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.04 9.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.707 HG21 ' HD2' ' B' ' 337' ' ' ARG . 3.7 mp -127.29 140.07 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -98.8 31.14 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.438 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -125.01 135.85 9.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -78.19 -38.77 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -72.01 -49.66 35.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.707 ' HD2' HG21 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -59.41 -52.24 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.728 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 40.0 t80 -61.78 -33.02 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -38.02 88.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.542 179.638 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -64.8 -55.84 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.25 -25.36 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.052 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -72.71 -31.05 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.549 ' CD2' HD22 ' C' ' 344' ' ' LEU . 14.3 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.714 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.39 -42.76 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.56 -31.38 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 344' ' ' LEU . 1.9 mm? -74.65 -33.39 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.07 -31.35 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.458 HD12 ' OE1' ' B' ' 354' ' ' GLN . 0.1 OUTLIER -66.05 -34.4 77.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 16.3 mttt -61.67 -35.83 79.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.63 -38.66 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.85 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.665 HE22 HD13 ' C' ' 350' ' ' LEU . 1.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -105.97 97.68 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.26 153.49 26.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.823 HD22 ' CE2' ' D' ' 338' ' ' PHE . 1.5 pt? -157.96 152.59 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.23 84.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.446 HG13 HD12 ' C' ' 330' ' ' LEU . 2.8 mp -75.79 126.5 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -94.0 147.24 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.26 136.53 6.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -75.06 -30.63 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.27 -49.16 36.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.497 ' CG ' HD23 ' D' ' 348' ' ' LEU . 0.4 OUTLIER -59.27 -51.63 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 179.914 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -62.25 -35.17 78.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.44 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.0 -35.48 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -65.95 -57.85 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.297 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -59.07 -23.5 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.583 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.83 -29.72 61.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.549 HD22 ' CD2' ' B' ' 344' ' ' LEU . 89.2 mt -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -75.26 -42.68 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.03 -30.73 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.766 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.451 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -78.86 -30.95 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.683 HD13 ' CG ' ' D' ' 337' ' ' ARG . 7.3 mt -76.84 -29.67 56.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -73.15 -30.82 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.665 HD13 HE22 ' B' ' 354' ' ' GLN . 1.8 mt -68.23 -36.0 78.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.81 -36.92 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.79 -31.55 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.79 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -141.36 118.2 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.79 165.01 53.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.729 HD13 HD11 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -155.34 135.8 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . 0.433 ' H ' HD23 ' D' ' 330' ' ' LEU . . . -111.81 90.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.729 HD11 HD13 ' D' ' 330' ' ' LEU . 4.7 mt -104.37 128.46 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -95.18 71.22 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.35 134.42 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -77.26 -31.65 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -71.21 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.683 ' CG ' HD13 ' C' ' 348' ' ' LEU . 31.7 mtm-85 -58.24 -42.04 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.823 ' CE2' HD22 ' C' ' 330' ' ' LEU . 15.9 t80 -67.98 -30.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.414 ' HA ' ' CG ' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.562 ' O ' HD12 ' D' ' 344' ' ' LEU . 3.1 mtp -73.45 -51.0 18.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.382 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.524 ' HD1' HD13 ' D' ' 332' ' ' ILE . 2.0 m-85 -67.09 -29.45 69.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.41 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' D' ' 339' ' ' GLU . 4.2 ppt_? -83.27 -34.3 25.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.865 0.364 . . . . 0.0 110.387 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.89 -30.54 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.255 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 1.012 HD21 HD21 ' A' ' 344' ' ' LEU . 6.3 mt -76.4 -37.21 57.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -70.09 -38.42 75.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.5 -42.22 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.42 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.768 179.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.799 HD13 ' O ' ' D' ' 344' ' ' LEU . 5.6 mp -77.3 -25.53 51.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -79.83 -35.21 38.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.764 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.4 pp -77.82 -31.64 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.764 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -78.33 -28.24 47.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.746 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.75 -30.61 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -153.22 152.59 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.33 143.09 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.826 ' CD1' HD11 ' A' ' 332' ' ' ILE . 1.1 pt? -136.45 151.71 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -121.45 86.48 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.826 HD11 ' CD1' ' A' ' 330' ' ' LEU . 3.7 mp -74.68 144.82 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -98.61 34.25 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.35 119.97 1.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.46 -34.83 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -71.89 -49.33 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.663 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.13 -50.9 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.784 ' CE1' HD23 ' B' ' 330' ' ' LEU . 17.4 t80 -60.39 -32.17 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -62.58 -40.08 95.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.412 ' O ' HD12 ' A' ' 344' ' ' LEU . 9.0 mtm -66.06 -55.95 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.286 179.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.31 -25.69 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -73.69 -41.05 63.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.593 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -74.37 -31.77 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.51 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.786 ' O ' HD12 ' A' ' 348' ' ' LEU . 1.4 mp -74.61 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.679 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.406 ' OD1' ' CE2' ' B' ' 341' ' ' PHE . 3.5 m120 -71.43 -39.32 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.6 -35.9 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.21 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.09 -30.83 58.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.2 -31.43 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.799 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.23 -33.81 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.562 ' CE ' ' HB2' ' D' ' 347' ' ' ALA . 5.2 mtpm? -61.63 -34.04 74.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.23 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.38 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.979 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 15.6 m-85 -122.89 147.64 46.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.63 133.42 6.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.784 HD23 ' CE1' ' A' ' 338' ' ' PHE . 3.8 pp -135.2 149.11 49.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.14 157.12 20.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' B' ' 330' ' ' LEU . 3.8 mp -143.49 135.74 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.62 34.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.75 129.74 2.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -69.91 -32.49 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.71 -47.02 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 348' ' ' LEU . 10.6 mtm180 -59.79 -51.69 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.748 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.728 ' CE1' HD22 ' A' ' 330' ' ' LEU . 17.5 t80 -60.43 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.647 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.86 -38.68 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.515 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -65.78 -55.95 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.413 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 345' ' ' ASN . 3.2 m-85 -61.22 -25.7 67.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -75.98 -45.78 33.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.54 -30.19 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.438 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.778 HD21 ' HG ' ' C' ' 344' ' ' LEU . 2.3 mt -73.76 -31.0 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.618 179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.406 ' OD1' HG23 ' A' ' 332' ' ' ILE . 0.7 OUTLIER -72.03 -44.04 64.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.74 179.848 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.48 -32.33 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.45 56.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.663 HD13 ' HG2' ' A' ' 337' ' ' ARG . 8.5 mt -75.05 -32.45 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.781 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.7 -30.63 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.438 HD12 HE22 ' B' ' 354' ' ' GLN . 0.2 OUTLIER -67.68 -36.47 80.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.444 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 11.8 mtpt -64.57 -31.87 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.85 -35.84 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -35.31 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.438 HE22 HD12 ' B' ' 350' ' ' LEU . 2.4 mp0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.328 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.3 m-85 -142.2 143.95 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.85 134.5 12.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -105.22 105.74 15.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.89 2.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.528 HD13 ' HE2' ' C' ' 341' ' ' PHE . 23.7 mt -132.1 148.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -105.53 36.41 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.51 131.86 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -77.42 -36.56 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.56 -54.81 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -57.83 -47.45 82.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.76 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 74.9 t80 -62.45 -34.66 77.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 179.726 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -60.91 -38.71 86.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.432 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.4 ttp -64.67 -55.99 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.528 ' HE2' HD13 ' C' ' 332' ' ' ILE . 3.8 m-85 -60.94 -28.9 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.02 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -75.65 -42.79 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -31.59 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.778 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.41 -33.4 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.712 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.6 -42.97 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.41 -31.39 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.89 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.626 HD13 ' HD3' ' D' ' 337' ' ' ARG . 6.0 mt -75.86 -31.41 59.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.34 -30.72 65.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.9 -41.26 71.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -63.95 -31.42 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.15 -32.78 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.69 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 26.1 m-85 -109.39 147.93 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -114.92 142.27 17.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.95 137.46 47.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.1 82.5 0.37 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.516 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -86.96 117.74 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -94.91 76.83 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.94 133.76 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -71.09 -35.55 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.39 -49.69 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.626 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.15 -50.92 72.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 50.5 t80 -60.67 -32.19 71.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.33 -39.11 91.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -56.92 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 2.9 m-85 -62.41 -26.97 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.761 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -76.54 -43.17 40.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.565 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -71.72 -31.67 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.778 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -71.61 -35.0 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.679 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.93 -43.4 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.17 -31.17 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.562 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -74.21 -31.67 62.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.7 mm? -72.67 -38.37 67.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.3 -28.96 66.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.88 -43.78 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.757 ' HD3' HD13 ' D' ' 348' ' ' LEU . 10.3 ptmt -70.35 -30.8 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.55 -31.44 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.35 67.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -137.7 122.39 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.57 116.05 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.486 HD22 HG13 ' A' ' 332' ' ' ILE . 1.1 tt -106.37 122.43 46.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.486 HG13 HD22 ' A' ' 330' ' ' LEU . 4.5 mt -87.73 133.64 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -116.44 77.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.07 140.22 3.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -73.62 -64.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -59.95 -36.28 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.562 ' HG3' HD22 ' B' ' 348' ' ' LEU . 7.9 ttm180 -63.86 -56.48 15.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 19.2 t80 -60.13 -31.07 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.04 -36.55 84.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.454 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.03 -57.35 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -63.02 -26.1 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -77.41 -41.91 38.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.45 -29.81 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.688 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.54 -34.12 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.681 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -71.33 -39.36 71.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 350' ' ' LEU . 4.9 tp10 -71.88 -38.0 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.5 -31.75 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.656 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.3 mt -73.88 -30.19 62.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.51 -30.55 68.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.799 179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 346' ' ' GLU . 1.4 mp -64.33 -39.87 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.779 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 19.5 mtpp -59.55 -36.1 75.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.26 -38.76 92.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.75 -31.19 61.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 26.0 m-85 -104.89 152.42 22.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.49 110.63 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.573 HD22 HG13 ' B' ' 332' ' ' ILE . 1.1 tt -101.16 128.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.26 95.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.573 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -99.21 126.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.0 31.96 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.564 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -140.7 129.27 4.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -68.05 -39.45 83.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -71.95 -48.15 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.656 ' CG ' HD13 ' A' ' 348' ' ' LEU . 12.2 mtm180 -59.13 -51.05 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -60.21 -33.18 71.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.82 -38.91 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.503 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.77 -56.52 13.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.5 m-85 -60.4 -28.46 68.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -72.61 -44.2 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.58 -31.07 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.423 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.699 ' CG ' HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -71.67 -36.41 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.656 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -68.34 -43.91 76.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.68 -37.55 67.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.21 -25.16 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 337' ' ' ARG . 15.8 tp -76.61 -35.01 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -72.13 -29.07 63.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.49 -31.75 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.539 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 32.8 mttm -64.83 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -41.53 97.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.1 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.442 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 28.8 m-85 -142.1 136.9 30.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -110.96 144.01 17.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.521 HD23 HD11 ' C' ' 332' ' ' ILE . 6.4 tp -141.26 131.06 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . 0.439 ' C ' HD12 ' C' ' 332' ' ' ILE . . . -101.44 131.54 10.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.613 HD12 ' N ' ' C' ' 332' ' ' ILE . 3.0 mp -132.84 144.61 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -108.65 38.26 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.36 11.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -78.18 -46.92 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.05 -41.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.484 ' HG2' HG21 ' C' ' 332' ' ' ILE . 13.2 ttp180 -62.48 -55.43 27.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 38.8 t80 -63.82 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.355 179.612 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -32.91 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.313 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -68.35 -57.65 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 179.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.8 m-85 -63.96 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -76.86 -37.44 55.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.67 -30.77 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.699 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.0 OUTLIER -75.78 -32.54 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 179.74 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -73.87 -38.44 64.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.74 -31.74 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.539 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -78.4 -30.84 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.558 HD13 ' CD ' ' D' ' 337' ' ' ARG . 2.2 mt -77.88 -30.26 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.756 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.75 -28.15 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.82 -40.25 65.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.453 ' NZ ' HD23 ' C' ' 348' ' ' LEU . 1.4 ptpp? -65.66 -29.52 70.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.46 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.26 68.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.0 m-85 -134.19 136.31 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.99 132.0 10.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.62 109.99 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.91 116.7 5.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.59 151.26 34.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.28 34.8 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.6 122.56 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.09 68.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.42 -48.83 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.558 ' CD ' HD13 ' C' ' 348' ' ' LEU . 7.6 ttm180 -59.54 -51.83 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 23.5 t80 -61.04 -31.61 71.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -63.36 -38.5 91.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttm -65.09 -55.72 17.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.362 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.1 m-85 -58.87 -28.01 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -74.27 -49.02 24.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.73 -30.45 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.357 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -69.88 -41.96 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.556 179.71 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.82 -40.52 95.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -72.54 -35.01 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.779 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -75.22 -32.05 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.434 HD13 ' HD3' ' C' ' 337' ' ' ARG . 12.7 mt -74.08 -30.71 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -30.79 67.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.97 -35.95 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -35.86 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -40.02 89.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.16 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.993 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -126.68 136.18 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -77.72 146.45 31.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 332' ' ' ILE . 17.0 tp -131.81 141.0 49.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.52 82.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 330' ' ' LEU . 28.7 mm -92.51 134.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.71 31.13 3.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.527 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -134.14 125.21 3.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.25 87.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -49.76 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.6 ttm180 -59.1 -50.8 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 33.8 t80 -61.16 -32.51 72.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.542 179.7 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.7 -39.33 93.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.31 -54.67 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -58.91 -27.57 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HA ' HD11 ' B' ' 330' ' ' LEU . 0.0 OUTLIER -70.22 -45.2 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 179.781 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.79 -31.52 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.839 HD21 HD21 ' D' ' 344' ' ' LEU . 0.5 OUTLIER -72.15 -31.97 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.648 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.48 -44.12 68.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.12 -31.04 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.541 ' HB2' ' HE2' ' D' ' 351' ' ' LYS . . . -75.12 -32.18 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.6 mm? -73.01 -35.51 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.45 -30.82 69.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.89 -41.98 81.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -60.21 -31.63 70.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -31.67 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.51 -39.22 62.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.954 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 5.3 m-85 -137.04 139.31 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.09 134.72 12.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.597 HD23 ' N ' ' B' ' 331' ' ' GLY . 1.4 tt -130.53 139.07 50.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . 0.597 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -105.39 90.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.557 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -89.14 125.75 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -98.03 75.84 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.94 129.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -32.75 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.13 -54.34 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.6 ttm180 -58.29 -46.97 85.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.26 -32.35 73.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.506 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttm -65.42 -54.99 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.459 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -74.6 -46.09 40.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -70.88 -31.81 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.853 ' CD1' HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -72.62 -31.22 64.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.656 179.703 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.475 ' CG ' HD12 ' A' ' 332' ' ' ILE . 29.7 t30 -70.67 -43.33 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -70.35 -35.74 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.67 -30.54 64.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.956 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.803 HD23 HD23 ' B' ' 344' ' ' LEU . 1.0 OUTLIER -72.24 -36.37 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.896 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.06 -30.22 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.59 -45.0 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.788 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -69.09 -30.58 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -73.35 -31.28 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.39 -31.15 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -132.34 129.3 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.25 122.3 6.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.629 HD22 HG13 ' C' ' 332' ' ' ILE . 1.2 tt -102.74 111.91 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.35 82.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.629 HG13 HD22 ' C' ' 330' ' ' LEU . 4.6 mt -89.97 136.1 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.325 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -123.54 31.28 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.581 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -143.82 144.95 14.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -77.01 -47.18 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -65.64 -41.91 92.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.17 -53.65 54.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.779 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.484 ' CE2' HD12 ' D' ' 330' ' ' LEU . 18.9 t80 -59.59 -31.81 69.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.02 -38.82 92.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.503 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttm -65.04 -55.63 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.5 m-85 -60.56 -28.07 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.693 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.49 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.557 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -37.26 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.853 HD21 ' CD1' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -70.91 -37.14 72.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.469 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.432 HD22 HD21 ' D' ' 330' ' ' LEU . 35.6 t-20 -64.72 -35.75 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.51 -50.89 63.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.536 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.35 -29.12 70.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.68 HD13 ' CG ' ' D' ' 337' ' ' ARG . 2.9 tp -66.13 -39.99 90.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.07 -30.51 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -31.46 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.17 -32.0 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.47 -31.79 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.37 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.962 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -98.82 152.65 19.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -129.05 136.87 9.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.655 HD22 HG13 ' D' ' 332' ' ' ILE . 1.1 tt -126.85 123.93 38.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.15 87.55 0.84 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.655 HG13 HD22 ' D' ' 330' ' ' LEU . 3.8 mp -81.15 131.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.31 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.439 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -137.16 138.6 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -76.43 -52.02 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -44.66 89.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.692 HH12 HD23 ' C' ' 344' ' ' LEU . 0.0 OUTLIER -58.44 -50.79 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' D' ' 342' ' ' ARG . 77.7 t80 -56.97 -37.26 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.09 -42.29 90.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.352 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mtm -64.61 -58.24 6.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.021 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HD3' ' D' ' 337' ' ' ARG . 6.2 m-85 -58.86 -22.65 59.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.468 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -74.56 -47.4 32.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.435 179.539 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.86 -31.46 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.66 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -46.22 67.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.482 ' O ' HD23 ' D' ' 350' ' ' LEU . 12.9 pt-20 -70.46 -31.79 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.07 60.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.765 HD13 ' HD2' ' D' ' 351' ' ' LYS . 1.2 mm? -72.86 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.24 -30.87 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.482 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.4 mm? -71.03 -48.74 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' D' ' 348' ' ' LEU . 19.3 ptpt -66.81 -29.65 69.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -72.78 -31.47 64.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.91 63.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.79 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -147.63 135.37 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.03 120.45 6.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 332' ' ' ILE . 0.7 OUTLIER -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -114.78 101.44 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.91 HD11 HD22 ' A' ' 330' ' ' LEU . 3.9 mp -102.85 146.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.91 77.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.73 3.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -76.96 -33.65 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -47.26 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.609 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -60.11 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 179.864 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.798 ' CE1' HD23 ' B' ' 330' ' ' LEU . 91.3 t80 -60.88 -31.63 71.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -37.17 86.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttm -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.278 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 -23.81 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -71.39 -41.71 69.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.542 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.29 -31.84 62.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.726 HD11 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.87 -32.02 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.573 179.71 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -71.74 -39.89 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.599 ' O ' HD23 ' A' ' 350' ' ' LEU . 20.5 mt-10 -71.42 -36.54 71.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.1 -33.26 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.89 -31.87 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.57 -31.35 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -66.6 -46.07 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -31.16 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.06 -39.02 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.978 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -121.94 136.46 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.28 149.57 16.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.798 HD23 ' CE1' ' A' ' 338' ' ' PHE . 1.7 pp -143.57 150.01 38.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.72 114.98 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.728 HD11 HD13 ' B' ' 330' ' ' LEU . 26.8 mm -112.86 123.14 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -98.83 33.06 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.524 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -145.3 138.51 7.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -76.81 -35.57 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.61 -47.54 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.2 ttm105 -59.76 -51.38 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.778 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 330' ' ' LEU . 15.8 t80 -62.25 -33.85 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.42 -36.12 82.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -56.52 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.1 m-85 -59.71 -25.72 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -76.34 -48.17 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.457 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.64 -31.76 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.928 HD11 HD21 ' C' ' 344' ' ' LEU . 2.7 mm? -71.62 -45.65 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.373 179.478 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.803 ' OD1' HG23 ' A' ' 332' ' ' ILE . 20.4 t30 -62.34 -35.03 77.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -42.37 61.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.06 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.609 HD13 ' HG2' ' A' ' 337' ' ' ARG . 3.0 mt -75.03 -30.57 61.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.7 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.33 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.763 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 1.4 mptp? -60.1 -33.89 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.87 -43.86 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -180.0 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 18.5 m-85 -133.76 151.84 51.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 139.37 14.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.604 ' CD2' HD11 ' C' ' 332' ' ' ILE . 24.1 tp -133.13 118.7 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.27 120.05 6.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.604 HD11 ' CD2' ' C' ' 330' ' ' LEU . 4.3 mt -127.28 126.9 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.044 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -75.7 -31.17 59.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.1 130.91 22.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -76.12 -44.6 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.55 -51.84 63.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.824 ' HG2' HD22 ' D' ' 348' ' ' LEU . 1.6 tpp180 -58.53 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.507 ' HD1' HD12 ' C' ' 332' ' ' ILE . 52.5 t80 -62.27 -33.18 74.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.62 -36.55 83.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.347 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.567 ' O ' HD12 ' C' ' 344' ' ' LEU . 8.2 ttm -65.45 -58.13 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.475 ' HD2' HD13 ' C' ' 332' ' ' ILE . 6.2 m-85 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -71.5 -42.09 68.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.98 -32.32 73.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.928 HD21 HD11 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -67.66 -43.43 80.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.649 179.719 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.86 -47.37 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.763 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -63.99 -26.45 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.737 HD22 ' CD ' ' D' ' 337' ' ' ARG . 24.1 tp -69.38 -43.8 72.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.2 -24.31 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.83 -38.86 57.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.22 -29.17 65.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.53 -39.84 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.23 -31.18 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.344 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 3.8 m-85 -129.08 142.46 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.41 133.8 12.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.682 HD23 HD11 ' D' ' 332' ' ' ILE . 11.8 tp -118.12 129.81 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.49 82.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.682 HD11 HD23 ' D' ' 330' ' ' LEU . 3.6 mp -94.58 129.66 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.41 32.2 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.539 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.18 126.68 3.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.24 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.34 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.737 ' CD ' HD22 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -57.45 -37.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 42.4 t80 -66.58 -40.09 88.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -59.94 -34.99 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -56.39 11.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.429 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.652 ' HE2' HD22 ' C' ' 344' ' ' LEU . 3.1 m-85 -61.51 -31.04 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -76.36 -43.09 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.5 -30.95 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.726 HD11 HD11 ' A' ' 344' ' ' LEU . 1.4 tt -70.51 -38.84 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.51 179.689 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -64.09 -43.85 94.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.45 73.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.8 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.824 HD22 ' HG2' ' C' ' 337' ' ' ARG . 4.1 tp -68.1 -36.88 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.676 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -31.1 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -37.86 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.72 -31.35 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.31 -31.55 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.37 -31.13 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -135.88 133.2 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.38 133.03 11.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.989 HD22 HD11 ' A' ' 332' ' ' ILE . 1.0 OUTLIER -133.82 140.18 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 331' ' ' GLY . . . . . 0.434 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -126.83 126.95 5.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.989 HD11 HD22 ' A' ' 330' ' ' LEU . 3.8 mp -131.83 132.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.25 -30.94 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -71.04 119.95 8.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -36.49 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.91 -48.19 72.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.63 ' HD2' HD11 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.08 -49.56 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' B' ' 330' ' ' LEU . 15.6 t80 -58.67 -35.69 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.75 -41.88 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.303 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.483 ' HE3' ' HG2' ' C' ' 340' ' ' MET . 2.8 mmm -64.8 -58.91 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.07 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.507 ' HE1' HD22 ' B' ' 344' ' ' LEU . 6.3 m-85 -60.36 -25.09 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.525 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -78.12 -46.17 21.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.342 . . . . 0.0 110.451 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.07 -30.33 68.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.409 179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.471 HD11 HD21 ' D' ' 344' ' ' LEU . 3.7 mp -70.62 -40.78 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.507 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.626 ' ND2' HD12 ' B' ' 332' ' ' ILE . 18.8 t-20 -62.98 -41.35 99.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.19 -41.23 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.81 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.452 HD13 ' HB3' ' B' ' 337' ' ' ARG . 23.8 mt -71.35 -33.59 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.8 -30.64 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -70.5 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -63.6 -32.68 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -33.4 75.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.11 -30.48 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.1 m-85 -126.81 150.94 48.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.53 149.84 17.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -140.26 133.44 29.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.04 82.34 0.44 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.626 HD12 ' ND2' ' A' ' 345' ' ' ASN . 25.0 mm -83.09 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -105.16 30.91 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.586 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -136.58 133.43 6.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.78 52.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.05 -56.85 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HB3' HD13 ' A' ' 348' ' ' LEU . 16.1 ptp180 -58.38 -42.51 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.546 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 24.9 t80 -65.18 -35.56 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.671 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -62.44 -37.2 84.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.409 ' O ' HD13 ' B' ' 344' ' ' LEU . 0.0 OUTLIER -65.43 -54.18 32.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.482 179.645 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.72 -28.82 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -47.36 61.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.73 -40.34 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.835 ' O ' HD12 ' B' ' 348' ' ' LEU . 5.8 mp -63.35 -40.84 98.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.76 -45.86 90.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.62 -30.82 70.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.55 -46.44 85.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.018 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.835 HD12 ' O ' ' B' ' 344' ' ' LEU . 3.3 mp -60.82 -43.56 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.747 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.0 -31.03 69.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.71 -31.86 59.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -72.29 -31.36 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.83 -31.45 70.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.91 -31.23 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -144.61 125.98 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.21 143.77 15.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 1.106 HD23 HD11 ' C' ' 332' ' ' ILE . 12.9 tp -133.75 132.88 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -93.84 82.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 1.106 HD11 HD23 ' C' ' 330' ' ' LEU . 24.4 mm -76.07 124.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.59 118.95 0.94 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -60.01 -39.87 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.78 -47.54 45.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -59.78 -50.92 71.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.1 t80 -60.96 -33.07 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.16 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.543 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.483 ' HG2' ' HE3' ' A' ' 340' ' ' MET . 2.3 mpp? -65.28 -54.17 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.17 -27.73 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -73.94 -46.56 43.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.32 -31.63 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.624 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.715 ' O ' HD12 ' C' ' 348' ' ' LEU . 41.7 mt -73.24 -30.83 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.654 HD21 HG23 ' D' ' 332' ' ' ILE . 2.6 m120 -71.37 -41.77 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.554 ' O ' HD12 ' C' ' 350' ' ' LEU . 12.5 tt0 -70.27 -39.35 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.41 -30.94 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.715 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.7 OUTLIER -73.43 -30.3 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.867 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.28 -29.71 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.554 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.9 mp -68.57 -47.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' C' ' 348' ' ' LEU . 5.0 ptpp? -61.46 -29.95 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.87 -40.28 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.03 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.936 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 98.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 27.4 m-85 -143.54 137.06 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.16 114.59 4.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.946 HD22 HD11 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -98.42 134.48 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.946 HD11 HD22 ' D' ' 330' ' ' LEU . 3.8 mp -122.8 116.08 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -98.98 31.27 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.511 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -128.05 121.34 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.71 -43.81 97.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -46.94 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.57 ' CG ' HD13 ' C' ' 348' ' ' LEU . 6.1 ttm180 -59.85 -52.44 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.773 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 16.9 t80 -60.68 -31.76 71.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.09 -37.58 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtm -66.26 -56.87 9.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.374 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.1 m-85 -61.45 -26.12 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -73.48 -42.33 62.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -73.16 -31.4 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.798 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.6 OUTLIER -73.79 -31.32 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 179.764 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -71.86 -42.1 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -72.22 -31.54 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.17 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -74.66 -34.05 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.76 -30.68 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.2 -38.42 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -62.39 -31.21 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.83 -35.0 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.19 62.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.335 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m -63.54 152.95 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 13.1 m-85 -130.22 111.89 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.55 149.05 29.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.7 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.4 OUTLIER -120.92 117.49 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.55 86.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.7 ' CD1' HD22 ' A' ' 330' ' ' LEU . 3.5 mp -96.93 141.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.5 33.05 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.2 118.8 1.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -60.0 -37.65 80.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.94 -43.52 71.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.678 ' HG3' HD22 ' B' ' 348' ' ' LEU . 2.7 mmt-85 -60.02 -53.29 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CE1' HD12 ' B' ' 330' ' ' LEU . 16.1 t80 -57.93 -33.78 69.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.61 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.51 -41.9 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.386 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.602 ' O ' HD13 ' A' ' 344' ' ' LEU . 9.2 mtm -65.24 -58.76 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.931 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' B' ' 344' ' ' LEU . 13.4 m-85 -60.47 -25.51 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.098 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 338' ' ' PHE . 19.9 ttt180 -78.18 -43.87 27.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.496 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -30.37 69.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.421 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 348' ' ' LEU . 7.0 mp -70.4 -43.65 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.546 HD21 HG23 ' B' ' 332' ' ' ILE . 26.9 t-20 -66.2 -40.45 90.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -74.33 -34.59 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.518 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -77.08 -30.53 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -76.2 -29.8 57.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.73 -29.91 65.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.66 -35.23 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -36.18 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -40.18 89.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.51 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -76.76 -54.64 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.72 175.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.488 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 58.1 m -166.41 102.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -105.8 151.64 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -111.76 152.82 17.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.731 HD22 ' CG1' ' B' ' 332' ' ' ILE . 0.5 OUTLIER -133.85 134.81 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 87.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.731 ' CG1' HD22 ' B' ' 330' ' ' LEU . 24.0 mt -110.84 127.44 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -99.29 32.35 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.54 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -114.8 110.34 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.488 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -73.66 -50.64 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.71 ' HD2' HD13 ' A' ' 348' ' ' LEU . 1.5 tpp180 -59.12 -50.99 71.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 342' ' ' ARG . 92.0 t80 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.465 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.65 -34.87 78.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -67.02 -58.2 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.264 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.433 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.9 m-85 -60.23 -26.45 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 2.5 mmt180 -69.74 -37.18 76.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.601 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -32.57 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.561 HD21 HD21 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -69.17 -40.85 77.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.634 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.488 ' OD1' HG23 ' A' ' 332' ' ' ILE . 12.8 t30 -63.65 -42.41 98.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.83 -45.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.559 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.28 -29.37 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.736 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.678 HD22 ' HG3' ' A' ' 337' ' ' ARG . 10.8 tp -68.16 -38.96 82.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.747 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.98 -29.93 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.22 -34.25 74.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -63.16 -31.59 72.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -33.53 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.48 80.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -41.59 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.6 82.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.481 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.798 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 14.4 m 60.8 111.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -137.27 121.91 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.94 6.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.56 HD23 HD11 ' C' ' 332' ' ' ILE . 15.1 tp -100.42 113.14 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.46 85.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.56 HD11 HD23 ' C' ' 330' ' ' LEU . 3.5 mp -93.02 139.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 31.05 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.518 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -126.63 120.45 3.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -64.34 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -55.65 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -58.34 -47.16 84.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 28.6 t80 -63.2 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -38.4 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.406 ' HG2' HD12 ' C' ' 344' ' ' LEU . 5.7 ttm -65.41 -56.07 14.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.307 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.4 m-85 -59.42 -28.05 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -68.5 -43.39 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.32 -29.77 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.57 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.797 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -75.02 -31.85 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.71 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -40.31 66.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.04 -36.44 72.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.797 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -73.63 -33.34 64.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -68.6 -31.17 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.67 -38.39 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -62.44 -39.89 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 -32.98 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.34 67.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.87 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.62 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.47 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.779 0.323 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 62.2 p -96.39 152.95 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 4.9 m-85 -130.92 125.74 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.39 118.02 4.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.12 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.03 123.64 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.461 HD13 ' HE2' ' D' ' 341' ' ' PHE . 23.4 mt -132.8 144.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 36.42 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.02 129.32 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -31.32 59.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.24 -49.07 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -59.16 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 47.3 t80 -60.58 -32.72 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.604 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.46 -38.92 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.57 ' HE1' HD22 ' C' ' 344' ' ' LEU . 10.4 ttp -64.55 -55.67 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' D' ' 332' ' ' ILE . 5.1 m-85 -59.15 -25.17 63.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.021 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -45.52 57.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.649 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.586 ' OE1' HD21 ' A' ' 348' ' ' LEU . 2.3 tm-20 -71.83 -31.09 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.649 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' D' ' 348' ' ' LEU . 91.4 mt -75.07 -31.25 61.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.754 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.03 -39.92 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -71.15 -31.68 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.7 mm? -70.51 -36.87 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -67.15 -30.85 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.16 -38.52 85.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.518 ' CE ' ' HB2' ' A' ' 347' ' ' ALA . 26.3 mttm -60.16 -34.49 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.82 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.61 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.1 -31.78 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.4 11.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.504 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m 60.63 110.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 10.8 m-85 -136.28 135.67 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.63 5.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.0 OUTLIER -107.19 133.53 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.486 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -110.29 85.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.528 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.781 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.9 mm -75.23 152.98 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -129.71 75.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.05 133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -60.89 -45.92 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.85 -40.44 72.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.825 ' HD2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -62.57 -55.7 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -61.13 -32.12 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.302 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.59 -36.11 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mtm -66.71 -60.07 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.49 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.83 -24.09 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -76.83 -40.99 45.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.26 -32.05 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.616 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.871 ' CD1' HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -73.96 -32.12 63.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.664 179.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -71.35 -40.09 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.23 -39.53 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.89 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.1 mt -73.18 -31.63 64.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.788 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.72 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.67 -35.34 80.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -60.38 -33.14 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -34.27 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.56 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -66.91 -40.38 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.02 -169.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.536 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.83 0.348 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 12.1 t -162.57 152.11 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -143.34 114.03 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -73.19 145.83 36.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.617 HD22 HD13 ' B' ' 332' ' ' ILE . 1.4 tt -131.6 138.27 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . 0.606 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -85.34 82.63 1.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.617 HD13 HD22 ' B' ' 330' ' ' LEU . 26.0 mm -89.28 153.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -147.35 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.63 129.12 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -60.37 -65.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.25 -37.05 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.864 ' HD3' HD13 ' A' ' 348' ' ' LEU . 15.1 ttp180 -64.2 -57.41 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.448 ' HB2' HG21 ' B' ' 332' ' ' ILE . 15.2 t80 -64.14 -31.31 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.0 -32.32 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.59 ' O ' HD23 ' B' ' 344' ' ' LEU . 7.1 ttm -68.75 -57.07 6.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.331 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 3.3 m-85 -60.88 -25.3 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -76.38 -45.76 30.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.539 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -68.27 -32.19 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.289 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.774 ' O ' HD12 ' B' ' 348' ' ' LEU . 4.1 mm? -71.66 -44.94 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -62.89 -34.02 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.814 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.24 -44.4 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.649 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' C' ' 351' ' ' LYS . . . -70.63 -31.15 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.825 HD13 ' HD2' ' A' ' 337' ' ' ARG . 0.4 OUTLIER -73.66 -35.33 65.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.02 -23.68 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.424 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' B' ' 350' ' ' LEU . 11.2 tp -77.81 -33.42 52.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.548 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 0.3 OUTLIER -73.93 -31.02 62.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.1 -31.51 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -93.23 -35.9 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 64.3 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.486 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.27 109.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.9 m-85 -135.64 151.02 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -97.89 138.54 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.51 HD23 ' N ' ' C' ' 331' ' ' GLY . 1.4 tt -136.85 135.29 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . 0.51 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -100.23 82.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.56 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.7 mp -71.26 85.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -72.53 75.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.21 140.74 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.35 -56.04 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.04 -36.39 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.536 ' HE ' HD13 ' D' ' 348' ' ' LEU . 50.2 mmt-85 -60.85 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' D' ' 330' ' ' LEU . 59.1 t80 -54.62 -37.11 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.799 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.12 -43.11 91.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.343 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.9 mmm -66.07 -58.52 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.908 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 6.0 m-85 -61.33 -19.94 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.342 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -79.36 -39.88 31.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.585 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.95 -31.99 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.753 ' O ' HD12 ' C' ' 348' ' ' LEU . 13.5 mt -74.43 -36.01 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.427 ' OD1' HG23 ' D' ' 332' ' ' ILE . 13.2 m-20 -69.97 -34.84 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.47 -42.58 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.548 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -71.54 -30.95 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.789 HD13 ' CG ' ' D' ' 337' ' ' ARG . 0.6 OUTLIER -74.24 -29.84 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.17 -31.36 68.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.25 -39.69 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.459 ' HD2' ' HB2' ' B' ' 347' ' ' ALA . 26.7 mtpt -65.14 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.76 -32.51 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.71 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -90.83 -43.46 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.62 -176.39 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 87.5 p -173.14 104.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -97.68 126.6 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -74.68 135.78 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.607 HD23 ' N ' ' D' ' 331' ' ' GLY . 1.9 tt -140.77 128.46 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . 0.607 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -96.32 100.15 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.555 HG13 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -98.64 137.96 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.49 77.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.53 125.72 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -65.04 -43.99 90.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.01 -43.49 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.789 ' CG ' HD13 ' C' ' 348' ' ' LEU . 6.4 ttm180 -60.59 -53.03 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.7 t80 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.598 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.08 -35.91 80.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.412 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mtm -66.0 -57.6 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.3 m-85 -60.87 -28.2 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -75.87 -44.35 41.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.604 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.41 -30.76 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.871 HD21 ' CD1' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.64 -32.56 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.665 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.79 -41.86 71.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.2 -30.75 58.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.89 -28.08 36.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.997 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.737 HD23 ' HD3' ' D' ' 351' ' ' LYS . 15.9 mt -80.63 -29.87 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.12 -27.07 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.36 -35.23 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.737 ' HD3' HD23 ' D' ' 348' ' ' LEU . 12.9 ptmm? -72.57 -31.5 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.7 -31.21 57.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.14 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.15 -29.67 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.4 30.98 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.484 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.438 ' HB3' ' CE1' ' A' ' 328' ' ' PHE . 5.4 mt-10 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.87 0.366 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.9 p -69.66 110.34 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.438 ' CE1' ' HB3' ' A' ' 326' ' ' GLU . 26.9 m-85 -100.98 118.96 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.86 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' B' ' 342' ' ' ARG . 1.2 tt -150.57 113.91 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.18 94.95 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.674 HG23 ' OD1' ' B' ' 345' ' ' ASN . 24.1 mt -110.01 127.28 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -107.66 30.8 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.596 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -122.12 110.78 1.67 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -33.3 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.999 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -73.98 -62.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.635 ' HB3' HD13 ' B' ' 348' ' ' LEU . 12.0 ptp180 -57.22 -40.01 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -66.66 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.63 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -53.07 52.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.664 ' HB2' HD11 ' B' ' 330' ' ' LEU . 3.7 m-85 -59.24 -30.23 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -70.64 -47.23 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.25 -30.69 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.796 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.89 -36.15 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 179.676 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.12 -43.04 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 350' ' ' LEU . 15.5 tt0 -70.42 -35.07 73.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.51 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.761 HD13 ' HD3' ' B' ' 337' ' ' ARG . 1.8 mt -72.04 -28.92 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.16 -28.15 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.6 OUTLIER -72.41 -50.03 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -28.78 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.29 -33.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.94 50.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -30.95 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -86.69 103.03 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.535 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 73.5 p -160.19 145.1 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -153.61 137.21 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.86 6.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.774 HD22 ' CD1' ' B' ' 332' ' ' ILE . 0.8 OUTLIER -107.58 136.96 46.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.89 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . 0.566 ' H ' HD23 ' B' ' 330' ' ' LEU . . . -132.87 90.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.774 ' CD1' HD22 ' B' ' 330' ' ' LEU . 3.5 mp -95.07 146.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.1 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -110.89 77.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.32 147.67 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.24 -52.97 7.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.17 -42.72 93.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.761 ' HD3' HD13 ' A' ' 348' ' ' LEU . 8.3 ttm-85 -61.49 -54.15 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.2 t80 -60.3 -30.82 69.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.88 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.15 -56.15 12.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.351 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 2.8 m-85 -62.61 -28.0 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.492 ' HA ' HD11 ' A' ' 330' ' ' LEU . 32.2 ttt-85 -74.48 -42.04 59.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.33 -32.18 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.757 HD11 HD21 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -71.05 -32.79 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.674 ' OD1' HG23 ' A' ' 332' ' ' ILE . 7.2 t30 -69.63 -46.0 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.552 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -76.52 -30.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.711 HD23 ' HD3' ' B' ' 351' ' ' LYS . 14.1 mt -74.53 -31.1 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.99 -30.07 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.27 -40.58 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.711 ' HD3' HD23 ' B' ' 348' ' ' LEU . 12.7 ptmm? -68.54 -30.08 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.817 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.86 -31.26 70.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.01 -31.19 56.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -76.97 -32.49 57.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 128.05 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.525 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.748 0.309 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.67 114.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.09 151.14 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.45 118.48 4.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.8 OUTLIER -103.16 125.08 49.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.86 91.63 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.795 ' CD1' HD22 ' C' ' 330' ' ' LEU . 26.7 mm -91.9 149.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -142.86 34.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.514 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -153.89 141.95 8.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -71.9 -55.89 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.21 -44.23 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -59.88 -51.85 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.781 ' HB2' HG21 ' C' ' 332' ' ' ILE . 19.5 t80 -59.34 -33.4 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.81 -39.96 93.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.71 -55.48 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.418 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.5 -27.13 67.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -72.25 -44.7 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -31.39 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.437 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.757 HD21 HD11 ' B' ' 344' ' ' LEU . 1.4 mp -72.39 -35.46 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.626 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.753 HD21 HD12 ' D' ' 332' ' ' ILE . 0.6 OUTLIER -67.79 -41.5 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -73.9 -34.43 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -79.98 -28.51 39.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' D' ' 337' ' ' ARG . 13.5 mt -84.34 -19.29 33.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -85.25 -30.22 23.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.724 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.2 pp -76.87 -26.82 54.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.937 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.724 ' N ' HD12 ' C' ' 350' ' ' LEU . 16.5 ptpt -74.13 -31.02 62.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.374 . . . . 0.0 110.797 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -66.76 -36.02 81.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.38 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -69.98 -44.91 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.41 5.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.503 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.763 0.315 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 27.8 t -127.11 128.6 46.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -112.48 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.29 136.76 14.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.471 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 15.3 tp -139.27 110.95 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.27 92.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.753 HD12 HD21 ' C' ' 345' ' ' ASN . 21.1 mm -75.8 126.71 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -100.48 36.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -150.59 136.33 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.36 -37.3 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.758 ' HG2' HD13 ' C' ' 348' ' ' LEU . 3.3 mtm180 -63.48 -56.46 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' D' ' 338' ' ' PHE . 27.6 t80 -60.27 -20.14 57.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.99 -41.17 62.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.278 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' D' ' 341' ' ' PHE . 2.1 ptm -69.98 -39.84 75.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 111.007 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.57 ' HB2' HD11 ' C' ' 330' ' ' LEU . 2.7 m-85 -72.31 -28.93 63.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -74.51 -40.34 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.439 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.796 HD21 ' CG ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.28 -32.04 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -42.96 62.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.738 ' O ' HD23 ' D' ' 350' ' ' LEU . 25.2 tt0 -73.04 -31.53 64.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.7 -30.83 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.989 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -74.81 -33.68 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.708 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.47 -29.21 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.738 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.3 mm? -69.99 -44.4 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.54 ' HE3' HD13 ' D' ' 348' ' ' LEU . 14.7 ptpt -65.67 -29.18 69.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -36.59 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.09 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.597 ' OE1' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -76.37 -31.34 57.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.32 -44.43 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.459 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.82 139.28 29.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.4 m-85 -113.43 125.99 54.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.7 116.9 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 1.011 HD23 HD11 ' A' ' 332' ' ' ILE . 18.8 tp -98.35 128.15 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.59 82.57 0.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 1.011 HD11 HD23 ' A' ' 330' ' ' LEU . 3.7 mp -85.83 133.03 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -102.21 76.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 166.18 142.5 3.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -77.68 -33.29 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.24 -52.94 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.648 ' CG ' HD13 ' B' ' 348' ' ' LEU . 2.8 ttm180 -58.55 -49.7 76.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.589 ' CD2' HD12 ' B' ' 330' ' ' LEU . 22.0 t80 -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.78 -38.5 90.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -65.6 -56.27 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.9 m-85 -61.34 -28.02 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -72.31 -42.28 65.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.567 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.0 -30.23 62.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.664 HD21 HD21 ' D' ' 344' ' ' LEU . 1.1 mp -74.81 -33.15 62.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -41.78 63.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.759 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.1 -31.61 69.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.37 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.695 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.7 OUTLIER -69.59 -30.14 67.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.735 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.3 -27.67 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -39.26 41.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -28.55 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.51 -30.95 63.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.55 75.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -33.91 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.81 102.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.504 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.815 0.34 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.7 m 60.84 111.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -136.17 138.74 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.84 128.55 9.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.589 HD12 ' CD2' ' A' ' 338' ' ' PHE . 0.7 OUTLIER -109.31 141.29 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.66 103.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.591 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.8 mp -114.51 138.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.146 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -126.82 31.28 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.591 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -140.17 134.18 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.71 -51.84 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.76 -37.56 84.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.695 ' HG3' HD13 ' A' ' 348' ' ' LEU . 10.0 ttm180 -63.06 -55.63 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 33.8 t80 -60.19 -31.97 70.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.89 -36.09 82.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.6 ttm -66.5 -57.09 8.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.325 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.2 m-85 -59.69 -25.78 65.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.89 -44.34 63.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.597 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -71.79 -31.95 67.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.569 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.62 ' O ' HD12 ' B' ' 348' ' ' LEU . 65.6 mt -73.03 -31.89 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.642 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.403 ' OD1' ' CE1' ' A' ' 341' ' ' PHE . 2.5 m120 -70.44 -41.97 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.78 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -32.73 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.438 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -78.29 -31.72 49.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.648 HD13 ' CG ' ' A' ' 337' ' ' ARG . 3.0 mt -77.77 -28.92 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -76.2 -30.54 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.93 -37.04 64.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -70.49 -31.54 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -31.57 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.55 -35.14 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -91.43 -31.57 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.64 157.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.508 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 72.8 m 60.27 104.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 25.2 m-85 -111.5 135.99 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.03 83.21 1.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.509 HD22 HD11 ' C' ' 332' ' ' ILE . 0.5 OUTLIER -74.44 118.01 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.25 115.65 5.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.509 HD11 HD22 ' C' ' 330' ' ' LEU . 24.9 mm -106.65 136.9 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -106.21 36.13 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.43 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -157.48 135.21 4.27 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.39 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.46 -53.72 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.712 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 38.5 t80 -62.54 -31.26 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.596 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -38.28 90.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.14 -56.66 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.4 m-85 -60.9 -25.7 66.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.813 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.673 ' HA ' HD11 ' D' ' 330' ' ' LEU . 9.9 tpt180 -71.5 -42.7 67.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.87 -31.61 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.801 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.9 OUTLIER -75.17 -31.58 61.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.82 -39.21 69.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.95 -36.23 69.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.453 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -73.48 -32.12 64.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.801 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -73.27 -32.39 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -30.74 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.58 84.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.0 OUTLIER -60.0 -38.8 83.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -35.19 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.15 83.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -82.95 -35.36 26.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.75 176.01 3.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.862 0.363 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.56 152.84 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 24.6 m-85 -146.09 144.12 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.43 141.8 15.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' C' ' 342' ' ' ARG . 0.5 OUTLIER -134.36 116.52 15.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.07 100.68 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.545 ' CD1' HD22 ' D' ' 330' ' ' LEU . 30.4 mm -91.31 104.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 74.81 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.64 141.23 3.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -75.24 -36.99 61.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -48.81 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.436 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 8.9 ttm180 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.493 ' CA ' HG21 ' D' ' 332' ' ' ILE . 24.4 t80 -61.0 -34.49 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.42 -37.06 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.458 ' CE ' HD23 ' C' ' 344' ' ' LEU . 14.5 ttp -65.27 -57.91 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.368 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 6.4 m-85 -59.36 -27.34 65.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -70.71 -42.27 70.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -74.9 -30.67 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.718 ' O ' HD12 ' D' ' 348' ' ' LEU . 21.1 mt -75.68 -30.57 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.693 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.88 -40.5 63.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.704 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -34.65 65.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.737 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.84 -30.47 58.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.987 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.718 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -75.78 -30.98 59.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.06 -29.18 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.49 -44.07 65.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -64.21 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.36 -31.47 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.25 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -66.3 -40.12 89.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.57 -176.71 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.517 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.843 0.354 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.3 131.21 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 9.7 m-85 -105.9 144.92 31.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.41 122.77 5.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.564 HD22 HG13 ' A' ' 332' ' ' ILE . 0.9 OUTLIER -131.45 110.97 11.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.14 100.12 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.564 HG13 HD22 ' A' ' 330' ' ' LEU . 3.8 mp -98.55 112.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -85.82 77.05 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.34 126.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.41 -46.68 75.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.56 -45.7 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -51.88 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.627 ' CE2' HD12 ' B' ' 330' ' ' LEU . 17.4 t80 -59.98 -32.88 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.0 -38.83 90.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.416 ' HE3' ' HE1' ' A' ' 341' ' ' PHE . 50.7 ttp -65.56 -56.96 9.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.383 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -62.25 -26.75 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -77.08 -42.24 38.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.583 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -72.67 -31.63 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.919 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.21 -35.16 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.517 179.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.84 -43.24 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.71 -29.74 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -78.29 -29.31 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.655 HD13 ' CG ' ' B' ' 337' ' ' ARG . 7.4 mt -76.52 -34.63 58.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.4 -29.46 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -70.72 -36.16 73.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -66.97 -31.16 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.44 -31.57 72.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.37 93.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.555 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.3 pt20 -69.92 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -127.11 95.73 4.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.461 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.1 t 60.11 97.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 41.8 m-85 -108.44 137.86 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.96 127.66 8.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.771 HD22 HD11 ' B' ' 332' ' ' ILE . 1.0 OUTLIER -127.55 105.71 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.66 106.04 3.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.771 HD11 HD22 ' B' ' 330' ' ' LEU . 3.8 mp -102.12 132.8 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.68 31.06 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.546 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -135.3 135.36 7.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -70.28 -49.92 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -64.95 -47.5 77.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.655 ' CG ' HD13 ' A' ' 348' ' ' LEU . 12.1 mtm180 -59.65 -51.89 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.769 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 20.3 t80 -60.32 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.45 -39.5 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.34 -56.51 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.323 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -62.18 -27.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -76.31 -43.07 42.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.587 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.852 HD21 HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -73.45 -31.44 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.6 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.47 -43.39 66.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.71 -31.96 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.561 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -73.05 -31.59 64.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.991 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.835 HD13 ' HD3' ' B' ' 351' ' ' LYS . 3.4 mm? -71.86 -40.09 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.49 -43.09 57.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.835 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.9 OUTLIER -72.04 -30.12 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.99 -31.08 56.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.36 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -72.04 -33.06 67.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.61 149.13 23.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.504 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.839 0.352 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.7 m 60.71 110.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -117.35 141.06 48.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.65 114.4 4.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.732 HD23 HD11 ' C' ' 332' ' ' ILE . 14.0 tp -106.78 124.76 50.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.93 91.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.732 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -95.0 129.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 34.31 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.501 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -135.33 140.53 11.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -77.8 -49.36 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.26 -47.21 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -59.44 -50.29 74.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CE2' HD12 ' D' ' 330' ' ' LEU . 17.1 t80 -60.41 -33.07 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.625 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -55.0 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.88 -27.91 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.71 -44.69 66.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.598 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.34 -30.51 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.852 HD21 HD21 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.689 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -71.67 -39.47 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.11 -38.72 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.23 -33.32 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.776 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.4 OUTLIER -73.66 -29.5 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -70.15 -30.84 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.34 -38.56 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.561 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.9 OUTLIER -60.76 -33.2 72.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -34.48 75.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.29 -31.71 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.14 -33.54 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.78 -169.99 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 3.6 t 60.73 110.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 24.9 m-85 -138.63 150.74 46.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -102.41 137.07 13.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.563 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.608 HD22 HD11 ' D' ' 332' ' ' ILE . 0.8 OUTLIER -132.64 131.8 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.5 100.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.608 HD11 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -105.98 117.58 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -93.11 74.93 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.05 142.53 5.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -77.38 -46.77 21.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.86 -40.48 72.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.628 ' CG ' HD13 ' C' ' 348' ' ' LEU . 7.2 ttm180 -61.3 -53.89 51.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.72 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.636 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 27.8 t80 -60.13 -36.54 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.33 -36.44 77.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttm -65.58 -56.76 10.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.61 -26.06 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -45.13 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.601 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.63 -30.7 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.919 HD21 HD11 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -72.62 -35.47 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' C' ' 332' ' ' ILE . 18.1 t-20 -68.6 -42.97 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.738 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.429 ' O ' HD12 ' D' ' 350' ' ' LEU . 10.5 mt-10 -69.22 -33.76 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.29 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.788 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.8 mm? -68.53 -37.41 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.736 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.7 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.555 HD21 ' NE2' ' A' ' 354' ' ' GLN . 1.8 mp -63.1 -42.98 99.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.5 OUTLIER -58.97 -30.61 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -32.16 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.28 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.21 -31.89 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.84 92.29 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.48 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t -99.07 150.56 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.444 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 29.9 m-85 -151.47 127.37 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.07 121.7 6.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.1 129.04 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.59 99.78 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.572 HG22 ' H ' ' A' ' 334' ' ' GLY . 3.9 mp -101.29 137.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -109.81 32.94 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.572 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.13 146.41 17.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -78.1 -38.4 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.12 -48.11 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.653 ' HG3' HD13 ' B' ' 348' ' ' LEU . 7.3 ttm180 -59.66 -51.83 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.725 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 46.1 t80 -60.89 -32.34 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.27 -38.09 87.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.451 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 ttp -65.64 -57.67 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -61.12 -27.06 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -73.8 -43.17 59.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.487 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.08 -29.87 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.921 HD21 HD11 ' D' ' 344' ' ' LEU . 2.3 mt -75.15 -30.92 60.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.636 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.02 -43.22 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.01 -30.53 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -76.81 -31.42 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 344' ' ' LEU . 1.8 mm? -74.61 -34.05 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.731 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.92 -29.18 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -47.15 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -27.44 63.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -78.78 -30.22 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.68 -31.06 61.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.35 -32.14 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.36 -39.93 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.326 -1.263 . . . . 0.0 112.487 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 29.2 t 61.07 112.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 8.2 m-85 -127.06 130.75 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -109.91 138.17 14.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 332' ' ' ILE . 14.1 tp -128.7 140.61 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.18 91.06 0.65 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 332' ' ' ILE . 3.9 mp -97.16 122.11 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -94.84 48.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.93 136.13 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -75.35 -51.55 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.91 -45.05 79.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -61.48 -55.51 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 32.2 t80 -60.96 -26.72 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.469 ' HA ' ' HG2' ' B' ' 342' ' ' ARG . 22.2 mt-10 -67.8 -35.32 78.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -70.95 -44.75 65.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' B' ' 338' ' ' PHE . 2.5 m-85 -64.13 -34.92 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.469 ' HG2' ' HA ' ' B' ' 339' ' ' GLU . 2.8 ptp180 -73.26 -34.41 65.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.781 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.58 -33.75 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.115 HD11 HD22 ' C' ' 344' ' ' LEU . 5.3 tp -75.15 -30.95 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.695 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -74.63 -38.31 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.696 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.426 ' O ' HD12 ' B' ' 350' ' ' LEU . 26.7 tt0 -71.66 -36.1 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.23 66.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.661 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.6 OUTLIER -70.93 -31.24 67.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.53 -30.38 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.542 HD23 HE22 ' C' ' 354' ' ' GLN . 1.5 mp -62.9 -38.14 89.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.666 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 26.3 mttt -59.33 -32.23 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.12 -46.19 74.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.39 72.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.01 -31.46 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -126.45 88.33 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.824 0.345 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 12.6 t 60.71 111.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.32 146.78 48.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.33 112.58 3.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.722 HD22 HG13 ' C' ' 332' ' ' ILE . 0.9 OUTLIER -99.52 129.64 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . 0.467 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -97.76 82.54 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.722 HG13 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -91.23 124.02 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -103.18 30.9 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.585 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -127.73 139.69 11.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -77.07 -44.4 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.38 -46.63 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -58.47 -50.22 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.539 ' CE1' HD12 ' D' ' 330' ' ' LEU . 20.4 t80 -59.99 -39.86 87.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.536 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.67 -36.36 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.62 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -56.65 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.09 -25.96 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -45.56 47.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.584 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -71.13 -32.64 69.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 1.115 HD22 HD11 ' B' ' 344' ' ' LEU . 49.1 mt -72.82 -30.08 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.27 -43.15 67.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.719 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.78 -32.53 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -75.96 -32.41 59.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.786 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -73.35 -31.8 64.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.717 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.1 -34.33 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -66.72 -32.23 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.3 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.99 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.542 HE22 HD23 ' B' ' 350' ' ' LEU . 21.3 mt-30 -80.89 -37.76 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.98 -74.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.554 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.84 0.352 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 66.3 p -95.08 151.29 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -142.34 118.61 10.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.35 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.853 HD22 HD11 ' D' ' 332' ' ' ILE . 0.4 OUTLIER -109.13 138.45 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.39 108.92 3.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.853 HD11 HD22 ' D' ' 330' ' ' LEU . 25.9 mm -106.69 125.18 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 34.07 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.485 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -145.93 140.89 9.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -77.96 -37.27 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -47.29 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 ttm105 -60.39 -50.83 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.771 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -61.31 -32.54 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.33 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -55.5 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.394 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.2 -28.13 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -70.94 -44.13 66.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -29.85 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.498 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.921 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -74.54 -31.32 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.698 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.626 HD21 HG23 ' C' ' 332' ' ' ILE . 4.1 m120 -72.7 -41.88 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -35.1 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.96 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.843 HD13 ' HD3' ' D' ' 351' ' ' LYS . 3.2 mm? -72.4 -37.26 68.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.15 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.97 -48.21 54.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.843 ' HD3' HD13 ' D' ' 348' ' ' LEU . 8.6 ptmm? -67.83 -30.07 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.59 -31.06 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.76 70.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.63 -48.31 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.99 155.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.444 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 p -90.87 142.61 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.1 m-85 -135.97 146.82 47.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.65 135.02 13.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.737 HD23 HD11 ' A' ' 332' ' ' ILE . 19.6 tp -129.49 142.47 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -122.08 83.54 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.737 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -88.2 132.08 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -94.68 93.8 7.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.17 139.45 2.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -77.55 -38.34 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.89 -48.7 43.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttm180 -59.83 -52.03 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 16.4 t80 -62.7 -31.62 72.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.27 -35.67 81.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -66.87 -54.95 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.48 ' HE1' HG21 ' A' ' 332' ' ' ILE . 4.0 m-85 -60.35 -28.51 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.04 -45.6 56.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.668 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.57 -31.2 69.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.549 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.783 HD22 HD11 ' D' ' 344' ' ' LEU . 27.4 mt -70.56 -33.82 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -68.79 -45.61 70.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 350' ' ' LEU . 6.0 mt-10 -69.07 -37.46 78.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.491 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -73.04 -31.28 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -72.3 -30.95 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -67.57 -30.73 70.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 346' ' ' GLU . 2.8 mp -67.79 -49.02 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.631 ' HE2' ' HB2' ' D' ' 347' ' ' ALA . 17.5 ptpt -60.88 -31.99 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.89 -42.98 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.04 67.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -76.83 -31.46 56.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.29 82.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' B' ' 328' ' ' PHE . 5.9 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.2 t -81.26 141.11 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -135.02 141.61 46.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.63 141.42 17.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.656 HD23 HD11 ' B' ' 332' ' ' ILE . 33.9 tp -142.67 142.47 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.14 93.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.656 HD11 HD23 ' B' ' 330' ' ' LEU . 25.3 mm -89.15 112.58 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -82.63 77.08 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.07 135.84 1.89 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -73.64 -37.2 65.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.37 -48.97 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.637 ' CD ' HD13 ' A' ' 348' ' ' LEU . 9.3 mtm180 -58.97 -50.71 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.437 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 17.1 t80 -60.52 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.69 -38.11 86.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.38 -57.8 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.404 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.4 m-85 -60.63 -28.04 68.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -76.14 -45.66 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.9 -31.12 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.663 HD21 ' CG ' ' C' ' 344' ' ' LEU . 4.3 mt -70.96 -36.09 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.629 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.584 ' ND2' HG23 ' A' ' 332' ' ' ILE . 14.9 t-20 -66.75 -43.41 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.16 -31.6 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.89 -31.46 56.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.89 -31.54 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -71.22 -30.53 66.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -38.25 83.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -62.93 -39.88 95.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.69 -31.55 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.58 -31.95 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -83.8 -34.55 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.43 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.854 0.359 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.9 p 59.24 108.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 69.2 m-85 -128.28 152.63 47.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.92 140.49 11.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.552 HD22 ' CE2' ' D' ' 338' ' ' PHE . 1.3 pt? -135.49 152.79 51.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.4 90.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.497 HG23 ' HD2' ' C' ' 337' ' ' ARG . 2.7 mp -81.29 128.98 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -98.38 35.15 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.491 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.86 126.74 3.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -64.05 -47.42 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.55 -39.66 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.642 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -61.85 -54.17 45.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.767 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' C' ' 332' ' ' ILE . 14.1 t80 -59.55 -32.78 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.676 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.16 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -66.81 -55.4 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.425 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.468 ' HE1' HD23 ' D' ' 344' ' ' LEU . 2.7 m-85 -62.72 -27.33 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -76.63 -44.13 35.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.45 -31.86 70.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.438 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.663 ' CG ' HD21 ' B' ' 344' ' ' LEU . 4.6 mp -71.93 -43.02 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.392 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.13 -35.54 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -66.86 -51.63 53.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.626 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.712 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.85 HD22 ' HG2' ' D' ' 337' ' ' ARG . 6.4 tp -66.33 -41.73 89.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.768 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.0 -31.42 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.59 -41.69 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -67.45 -30.69 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.99 -31.64 70.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -31.39 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -89.96 -50.12 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.47 137.47 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 74.4 m -100.05 117.9 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 19.3 m-85 -108.56 150.9 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.92 116.65 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' D' ' 332' ' ' ILE . 0.8 OUTLIER -100.28 134.5 43.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . 0.526 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -109.82 85.12 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.693 ' CD1' HD22 ' D' ' 330' ' ' LEU . 22.0 mm -82.85 151.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 42.31 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -161.58 149.32 17.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -78.55 -56.14 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -46.04 90.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.85 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.9 tpt180 -60.36 -53.25 59.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' C' ' 330' ' ' LEU . 32.9 t80 -62.71 -32.66 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.402 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.94 -36.14 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtm -65.6 -56.34 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.367 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.469 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 6.0 m-85 -58.55 -26.36 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -46.16 54.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.643 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.67 -30.26 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.783 HD11 HD22 ' A' ' 344' ' ' LEU . 1.1 tp -71.76 -32.79 68.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.746 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.49 -44.39 67.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.13 -34.96 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . . . -75.74 -30.96 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' C' ' 337' ' ' ARG . 2.9 mt -74.87 -29.93 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.15 -29.61 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 350' ' ' LEU . 12.0 mt -67.47 -39.23 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.563 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 2.7 mtmp? -60.67 -41.35 94.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.5 -31.5 69.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.51 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -76.48 -31.71 57.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -138.47 102.66 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.503 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.854 0.359 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 73.1 m 61.0 112.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.9 m-85 -126.66 120.97 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -76.51 132.84 12.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.432 HD22 HG13 ' A' ' 332' ' ' ILE . 1.1 tt -128.14 124.31 36.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.63 83.01 1.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.7 mp -76.92 150.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -129.8 77.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.89 135.14 1.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -69.84 -42.39 73.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -72.11 -43.95 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -61.0 -53.41 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 18.7 t80 -60.77 -31.39 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.2 -37.16 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.401 ' HE3' ' CE1' ' A' ' 341' ' ' PHE . 17.6 ttp -66.64 -55.46 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.15 -26.94 68.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -72.94 -41.26 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.595 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.7 -31.28 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.791 ' O ' HD23 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.702 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -73.27 -37.89 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.12 -31.7 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.449 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -75.47 -31.54 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -74.79 -36.04 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -71.73 -29.94 65.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -33.7 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -65.56 -38.78 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.18 -33.32 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.15 63.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -31.08 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.37 88.76 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.528 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.2 t -160.75 130.07 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -139.29 131.26 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -78.07 142.36 26.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 338' ' ' PHE . 13.8 tp -138.92 111.7 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.94 85.03 0.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.536 HD11 ' CD2' ' B' ' 330' ' ' LEU . 29.2 mm -86.89 127.19 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.6 71.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.73 129.44 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.4 -42.68 78.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -74.33 -51.09 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -58.32 -49.47 77.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.759 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 35.1 t80 -61.56 -35.12 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttm -64.55 -54.62 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.467 ' HE2' HG21 ' B' ' 332' ' ' ILE . 3.7 m-85 -59.43 -28.18 66.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -46.44 51.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.0 -31.4 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.032 HD22 HD11 ' C' ' 344' ' ' LEU . 12.1 mt -73.39 -31.3 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -71.03 -41.92 70.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.77 -31.62 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.735 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' B' ' 350' ' ' LEU . . . -72.27 -37.32 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.789 HD13 ' NZ ' ' B' ' 351' ' ' LYS . 3.7 mm? -68.26 -36.35 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.11 -28.72 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' B' ' 347' ' ' ALA . 3.9 mt -65.15 -42.58 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.789 ' NZ ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -61.33 -30.98 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -65.54 -37.89 88.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.11 69.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -114.59 30.81 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -117.2 166.14 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.5 m -162.17 152.53 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -134.52 152.78 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.11 124.01 7.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.737 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.9 OUTLIER -118.06 134.53 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . 0.555 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -106.48 99.51 1.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.551 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.737 ' CD1' HD22 ' C' ' 330' ' ' LEU . 28.4 mm -102.69 131.86 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -101.59 86.97 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.1 134.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -72.22 -47.37 51.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -70.95 -42.0 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.566 ' HE ' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -62.04 -54.81 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.74 -32.51 72.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.342 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.02 -35.73 81.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.198 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.86 -60.04 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.499 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.9 m-85 -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -73.39 -44.47 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.75 -32.65 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 1.032 HD11 HD22 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -68.8 -36.1 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.62 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.626 ' ND2' HD21 ' D' ' 330' ' ' LEU . 19.7 m-20 -65.93 -45.83 80.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.97 -31.88 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.746 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -75.73 -31.4 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.762 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -73.76 -32.46 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -70.49 -30.77 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -66.64 -36.49 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -64.67 -34.38 78.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.67 -32.61 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -74.42 -51.74 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.12 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.548 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 10.7 t 60.65 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.439 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 3.9 m-85 -130.26 152.33 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.15 145.84 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.626 HD21 ' ND2' ' C' ' 345' ' ' ASN . 21.3 tp -128.93 140.39 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.01 102.18 2.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.665 HD13 ' HD1' ' D' ' 338' ' ' PHE . 3.3 mp -107.64 131.64 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -111.41 36.87 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.497 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -155.02 128.15 2.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.38 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -76.25 -40.4 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.601 ' HG2' HG23 ' D' ' 332' ' ' ILE . 9.2 ttp180 -62.49 -55.66 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.665 ' HD1' HD13 ' D' ' 332' ' ' ILE . 16.2 t80 -62.24 -33.15 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -62.95 -34.06 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.169 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -67.03 -60.71 2.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.187 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.1 m-85 -62.47 -25.09 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -76.26 -39.03 55.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.517 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -74.87 -31.17 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.735 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -73.35 -33.87 65.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.61 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -70.79 -41.98 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.763 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.3 -36.7 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.28 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.566 HD22 ' HE ' ' C' ' 337' ' ' ARG . 14.7 mt -70.2 -37.98 75.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.82 -30.51 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -65.62 -41.32 92.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.449 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 18.5 mttt -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -34.89 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -74.98 -41.27 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.11 -33.53 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.455 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m -67.62 93.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.446 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 19.5 m-85 -82.17 117.08 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.07 155.48 24.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' B' ' 338' ' ' PHE . 1.2 tt -148.02 136.74 21.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.431 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -93.72 94.9 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.586 HD13 HD22 ' A' ' 330' ' ' LEU . 30.5 mm -77.79 149.68 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -129.66 79.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.0 128.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -60.46 -37.82 82.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -73.21 -47.91 39.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.815 ' HG3' HD13 ' B' ' 348' ' ' LEU . 4.9 ttm180 -59.85 -52.09 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' B' ' 330' ' ' LEU . 68.0 t80 -61.12 -31.72 71.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.534 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.486 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.96 -56.55 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.307 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -60.99 -27.01 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -75.04 -44.76 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.81 -30.82 64.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.703 HD21 HD21 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -74.36 -31.62 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -71.65 -41.04 69.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.86 -26.45 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.5 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -80.97 -29.19 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.664 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.9 OUTLIER -79.26 -35.27 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.01 -24.61 55.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 350' ' ' LEU . 11.9 mt -78.01 -35.07 50.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -72.57 -31.16 65.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.89 -31.79 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -91.48 -40.51 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.02 -57.55 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.453 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 25.1 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.836 0.35 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 91.7 p -101.27 152.85 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 24.1 m-85 -146.05 134.86 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -88.73 143.79 17.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -133.32 134.29 43.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.34 101.5 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' B' ' 337' ' ' ARG . 3.8 mp -103.44 139.53 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -117.18 84.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 163.53 128.53 0.96 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -62.33 -35.7 79.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.25 -49.25 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.664 ' HG3' HD13 ' A' ' 348' ' ' LEU . 5.3 ttm180 -59.7 -51.94 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 32.1 t80 -61.73 -31.67 71.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.22 -37.61 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttm -66.45 -56.64 10.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.3 m-85 -62.39 -26.41 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.57 -42.26 59.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -31.38 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.668 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -74.12 -35.33 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.513 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.1 -41.87 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.671 ' O ' HD23 ' B' ' 350' ' ' LEU . 6.5 tt0 -72.34 -32.37 66.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.763 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.72 -33.16 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.815 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.7 OUTLIER -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -30.51 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.671 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -66.49 -44.25 83.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.422 ' HD2' HD23 ' B' ' 348' ' ' LEU . 15.4 ptpt -68.87 -31.41 70.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.94 -31.55 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.55 -31.34 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -68.66 -31.61 70.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.5 -172.65 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.485 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.84 0.353 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.8 m -101.12 127.78 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -107.55 123.34 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.57 148.73 21.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.462 HD22 HG13 ' C' ' 332' ' ' ILE . 0.6 OUTLIER -142.49 112.74 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -87.42 93.25 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.537 HD13 ' HD1' ' C' ' 341' ' ' PHE . 4.8 mt -95.29 137.37 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -105.85 75.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.26 120.42 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -62.34 -37.69 86.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.55 -49.15 34.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.407 ' HG2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.22 -51.42 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.409 ' CZ ' ' HG ' ' D' ' 330' ' ' LEU . 17.0 t80 -60.62 -32.22 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.551 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -62.45 -38.33 89.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.517 ' O ' HD23 ' C' ' 344' ' ' LEU . 15.1 ttm -66.24 -57.55 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.265 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.537 ' HD1' HD13 ' C' ' 332' ' ' ILE . 3.3 m-85 -61.39 -25.95 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.07 -46.23 21.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.39 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -31.15 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.148 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.781 ' O ' HD12 ' C' ' 348' ' ' LEU . 3.2 mm? -69.5 -45.84 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.66 -39.18 79.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.683 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.634 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 tt0 -71.74 -37.61 70.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.43 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.781 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.3 OUTLIER -70.62 -38.93 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.62 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.634 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.8 mm? -64.47 -44.76 90.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.53 -31.54 57.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.28 -33.19 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -75.97 -31.76 59.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 77.86 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.494 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.42 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 61.9 p -103.03 151.9 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 37.5 m-85 -149.51 142.81 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.15 118.15 5.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' D' ' 332' ' ' ILE . 1.1 tt -101.16 131.19 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . 0.447 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -99.33 88.81 0.84 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.667 HD11 ' HB3' ' D' ' 330' ' ' LEU . 3.6 mp -96.99 114.01 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -96.56 40.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.08 140.37 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.79 -52.58 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.09 -47.65 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.606 ' HD3' HD13 ' C' ' 348' ' ' LEU . 1.7 ttm105 -59.64 -51.26 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.776 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.5 t80 -60.61 -32.22 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.15 -39.42 92.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.484 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.421 ' O ' HD23 ' D' ' 344' ' ' LEU . 7.6 mtm -64.89 -56.55 12.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.368 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.99 -26.46 64.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -75.87 -49.21 18.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.393 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -66.56 -30.72 71.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.175 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 344' ' ' LEU . 2.8 mm? -68.82 -45.9 70.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.406 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.445 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -59.77 -40.4 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.76 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.689 ' O ' HD23 ' D' ' 350' ' ' LEU . 7.4 tt0 -74.92 -32.95 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.87 -30.06 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.533 HD23 ' NZ ' ' D' ' 351' ' ' LYS . 12.4 mt -76.92 -30.77 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.57 -29.61 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.689 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -71.34 -43.48 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.533 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 14.2 ptpt -64.25 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.91 -31.41 72.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.42 72.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.11 -39.07 21.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.92 119.59 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.864 0.364 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 72.3 p -131.77 122.95 26.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.438 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.7 m-85 -106.82 140.04 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.88 9.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.7 OUTLIER -109.49 133.3 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.471 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -103.02 83.9 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.78 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.4 mm -84.85 138.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -115.3 35.53 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.556 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -149.64 136.66 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -34.13 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.95 -49.37 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.846 ' HG2' HD22 ' B' ' 348' ' ' LEU . 4.5 tpt180 -59.39 -51.12 71.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' B' ' 330' ' ' LEU . 51.1 t80 -62.97 -33.13 74.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.416 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.89 -37.43 86.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.304 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mmm -64.11 -57.76 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.3 m-85 -57.38 -27.72 62.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -67.11 -40.42 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.539 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -31.71 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.522 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.773 HD21 HD11 ' D' ' 344' ' ' LEU . 1.3 mp -71.96 -34.94 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.587 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -44.38 63.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.89 -30.99 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.19 60.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.402 HD13 ' HE ' ' B' ' 337' ' ' ARG . 12.5 mt -72.33 -31.89 66.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.82 -29.85 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.53 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -60.25 -31.36 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.38 -34.09 77.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.66 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -114.77 113.43 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.479 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.888 0.375 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 44.3 t 60.32 90.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -108.21 150.16 27.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 126.17 8.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 1.057 HD23 HD11 ' B' ' 332' ' ' ILE . 4.7 tp -107.29 117.36 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.71 114.0 4.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 1.057 HD11 HD23 ' B' ' 330' ' ' LEU . 3.3 mp -125.38 134.52 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -98.45 34.43 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.422 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -138.98 137.24 8.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.0 -45.52 49.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.78 -49.73 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.8 ttm180 -58.9 -50.56 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.48 ' HD1' HD13 ' B' ' 332' ' ' ILE . 42.7 t80 -61.47 -34.26 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.71 -38.35 87.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.559 ' O ' HD12 ' B' ' 344' ' ' LEU . 27.5 ttm -64.92 -57.07 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.525 ' HE1' HD22 ' A' ' 344' ' ' LEU . 2.7 m-85 -62.73 -29.73 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.741 ' HA ' HD11 ' A' ' 330' ' ' LEU . 0.0 OUTLIER -76.23 -37.47 57.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.72 -36.43 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.734 ' CG ' HD21 ' C' ' 344' ' ' LEU . 0.8 OUTLIER -67.19 -40.85 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.475 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -61.44 -42.94 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -48.3 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.19 70.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.732 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.846 HD22 ' HG2' ' A' ' 337' ' ' ARG . 14.1 tp -66.85 -40.48 87.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -29.73 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.453 HD11 HE22 ' C' ' 354' ' ' GLN . 0.1 OUTLIER -71.84 -41.57 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -64.08 -30.31 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.35 -33.11 75.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.94 32.3 6.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -170.43 83.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.511 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.429 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 8.6 mp0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.848 0.356 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 11.5 t -86.39 147.48 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 22.3 m-85 -136.58 136.1 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.86 127.84 8.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.728 HD22 HG13 ' C' ' 332' ' ' ILE . 0.5 OUTLIER -100.03 132.06 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -113.07 89.0 0.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.728 HG13 HD22 ' C' ' 330' ' ' LEU . 4.6 mt -95.64 149.69 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -126.22 77.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.81 148.0 5.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -73.38 -47.03 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.72 -36.46 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.682 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -63.64 -56.07 18.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.735 ' CZ ' HD12 ' D' ' 330' ' ' LEU . 16.4 t80 -60.51 -32.12 71.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.88 -36.26 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -59.2 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.224 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -62.52 -24.92 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -77.01 -40.88 44.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.498 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.86 -30.64 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.734 HD21 ' CG ' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 179.657 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -72.2 -42.85 65.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.61 -31.83 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.99 56.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' D' ' 337' ' ' ARG . 2.4 mt -75.38 -31.53 60.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 -29.73 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -66.49 -37.1 84.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -64.09 -34.88 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -67.88 -32.12 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.93 -33.48 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.453 HE22 HD11 ' B' ' 350' ' ' LEU . 69.2 mt-30 -78.24 -31.78 49.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -128.48 86.47 2.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.461 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 33.2 t -157.95 147.63 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 16.0 m-85 -143.84 139.08 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.88 157.55 25.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.844 HD22 HD11 ' D' ' 332' ' ' ILE . 0.9 OUTLIER -151.53 130.73 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.07 96.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.844 HD11 HD22 ' D' ' 330' ' ' LEU . 3.9 mp -111.19 127.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -92.03 74.71 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.91 127.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -77.46 -33.93 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.55 -52.71 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.498 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.26 -49.86 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 16.6 t80 -61.82 -32.47 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.73 -37.49 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -56.85 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.367 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.5 m-85 -62.09 -25.65 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -75.73 -42.07 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.8 -30.95 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.773 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -73.69 -31.31 63.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.652 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.36 -42.87 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.523 ' O ' HD23 ' D' ' 350' ' ' LEU . 36.4 tt0 -70.93 -36.05 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.722 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.13 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 344' ' ' LEU . 2.4 mt -72.64 -31.29 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.54 -30.63 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -63.19 -41.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' D' ' 355' ' ' ALA . 20.6 mtpp -66.17 -31.78 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -35.39 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.35 72.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -116.91 31.41 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' D' ' 351' ' ' LYS . . . -95.83 145.89 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.475 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.776 0.322 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.81 152.22 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -146.94 139.15 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.13 140.88 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' B' ' 338' ' ' PHE . 12.6 tp -135.3 124.28 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.83 82.36 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.76 143.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -117.24 73.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.29 142.36 4.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -76.01 -48.86 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.86 -43.31 72.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 1.3 ttp85 -61.91 -55.0 34.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 30.9 t80 -62.77 -31.18 72.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.89 -35.05 79.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.298 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttm -67.65 -58.23 5.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.245 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 3.1 m-85 -62.06 -25.12 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -75.96 -41.87 50.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.51 -30.05 61.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.463 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.986 HD22 HD11 ' D' ' 344' ' ' LEU . 13.3 mt -74.29 -30.76 62.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -73.46 -43.25 60.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -72.39 -31.5 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.6 mm? -72.95 -30.55 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -68.58 -30.25 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.584 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 15.2 mttt -63.21 -33.79 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -59.89 -43.68 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.92 70.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -76.49 -42.14 44.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.86 123.01 27.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.509 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 5.2 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.805 0.336 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.6 t -86.29 115.09 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 15.2 m-85 -103.23 145.98 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -92.25 122.12 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.553 HD23 HD11 ' B' ' 332' ' ' ILE . 16.8 tp -104.56 131.8 51.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.99 95.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.566 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.5 mp -96.08 124.69 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.08 30.87 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.566 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -150.2 144.9 12.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -73.43 -49.29 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.24 99.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.403 ' NE ' ' HB3' ' A' ' 348' ' ' LEU . 4.7 mtm180 -62.19 -55.36 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.685 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.634 ' CZ ' HD13 ' A' ' 330' ' ' LEU . 26.1 t80 -60.27 -20.58 59.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.08 -40.58 62.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.207 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' B' ' 341' ' ' PHE . 1.8 ptm -69.79 -40.09 76.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.001 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' B' ' 340' ' ' MET . 3.0 m-85 -72.02 -28.97 63.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -75.48 -41.27 55.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' B' ' 348' ' ' LEU . 36.2 mt -73.8 -31.71 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.604 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.01 -31.93 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.85 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -71.74 -41.51 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.36 -31.58 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.99 -34.25 77.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -62.17 -31.46 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.06 -37.44 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.52 70.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.28 -31.69 71.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.58 31.42 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.47 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.87 153.4 18.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -142.47 119.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.73 158.39 35.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.699 HD22 ' CD1' ' C' ' 332' ' ' ILE . 0.9 OUTLIER -147.43 133.98 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . 0.536 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -110.16 82.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.699 ' CD1' HD22 ' C' ' 330' ' ' LEU . 28.0 mm -76.32 132.43 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -98.81 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.562 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -139.96 141.27 11.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -78.03 -53.48 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.47 -43.91 92.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.736 ' CG ' HD13 ' D' ' 348' ' ' LEU . 3.2 ttm180 -60.7 -53.1 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.745 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' D' ' 330' ' ' LEU . 51.7 t80 -60.33 -32.57 71.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.2 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -55.24 19.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.375 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.403 ' HE2' HD22 ' D' ' 344' ' ' LEU . 5.0 m-85 -58.75 -25.96 63.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.992 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.33 32.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.85 -31.27 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.756 ' O ' HD12 ' C' ' 348' ' ' LEU . 2.1 mp -71.45 -39.32 71.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.584 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -64.24 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.15 -37.01 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.68 -31.35 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.756 HD12 ' O ' ' C' ' 344' ' ' LEU . 1.2 mt -79.84 -27.19 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.12 -30.83 43.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.27 -32.87 59.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.53 -30.69 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -31.43 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.81 62.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.572 ' OE1' ' HB2' ' C' ' 355' ' ' ALA . 0.0 OUTLIER -78.6 -30.98 46.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.572 ' HB2' ' OE1' ' C' ' 354' ' ' GLN . . . -121.58 99.87 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CE1' ' D' ' 328' ' ' PHE . 35.2 mt-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.754 0.311 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.3 m -78.49 152.86 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.4 ' CE1' ' O ' ' D' ' 326' ' ' GLU . 27.4 m-85 -142.51 129.1 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -81.14 146.23 26.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.583 HD22 ' CG1' ' D' ' 332' ' ' ILE . 0.4 OUTLIER -134.34 132.49 39.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.73 91.16 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.583 ' CG1' HD22 ' D' ' 330' ' ' LEU . 4.7 mt -103.37 118.57 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -98.14 36.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.459 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -143.3 132.35 4.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -67.76 -51.36 50.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.74 ' HD2' HD13 ' C' ' 348' ' ' LEU . 1.1 tpp180 -63.67 -56.31 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 16.0 t80 -59.8 -31.42 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.66 -36.98 85.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.408 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.62 -57.46 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.8 m-85 -62.01 -25.87 67.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -73.91 -41.03 62.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -30.28 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.986 HD11 HD22 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -74.97 -31.58 61.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.712 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.48 ' ND2' HG23 ' C' ' 332' ' ' ILE . 20.5 t-20 -73.07 -40.71 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.4 -32.28 62.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.584 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -78.12 -30.92 49.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.736 HD13 ' CG ' ' C' ' 337' ' ' ARG . 3.1 mt -76.85 -29.62 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.73 -30.17 62.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.22 -36.66 77.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.68 -40.91 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.84 74.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -74.94 -31.65 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.81 -30.96 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t -87.45 111.19 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.92 123.56 41.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.39 26.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 338' ' ' PHE . 1.1 tt -130.96 132.27 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.63 87.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.619 HG13 HD22 ' A' ' 330' ' ' LEU . 3.7 mp -83.23 131.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 75.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.96 127.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -38.54 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -72.3 -44.49 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.69 ' CG ' HD13 ' B' ' 348' ' ' LEU . 7.5 ttm180 -60.67 -52.99 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.759 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CD1' HD13 ' A' ' 332' ' ' ILE . 17.1 t80 -60.62 -31.94 71.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.16 -37.55 87.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.439 ' O ' HD12 ' A' ' 344' ' ' LEU . 6.7 ttm -65.98 -56.77 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.298 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -60.57 -26.88 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -72.3 -43.0 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.48 -31.19 63.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.453 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.758 ' HG ' HD11 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 179.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.627 HD22 HD21 ' B' ' 330' ' ' LEU . 41.5 t30 -70.92 -43.81 67.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.21 -31.48 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.72 -30.63 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 344' ' ' LEU . 1.2 mt -76.07 -30.94 58.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -72.36 -31.42 65.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.411 HD21 HE22 ' D' ' 354' ' ' GLN . 2.3 mt -69.06 -40.14 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.704 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 15.3 mtpt -62.03 -31.21 71.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.36 -36.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.62 84.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.453 ' NE2' HD11 ' D' ' 350' ' ' LEU . 4.6 mt-30 -74.08 -38.01 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.01 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.493 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.806 0.336 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 22.0 m -131.26 114.27 14.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 19.2 m-85 -107.75 144.79 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -108.25 146.26 16.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.645 HD22 HG13 ' B' ' 332' ' ' ILE . 4.9 tt -138.16 145.26 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . 0.533 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -97.49 82.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.645 HG13 HD22 ' B' ' 330' ' ' LEU . 3.7 mp -75.77 119.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -97.11 77.21 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.5 141.72 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -77.53 -38.05 49.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -45.32 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.576 ' CG ' HD13 ' A' ' 348' ' ' LEU . 6.7 ttm180 -60.62 -53.1 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.776 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE2' HD12 ' A' ' 330' ' ' LEU . 15.9 t80 -61.14 -31.96 71.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.62 -37.03 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.533 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -56.35 10.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.364 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.2 m-85 -61.34 -25.48 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -74.77 -44.65 48.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.04 -33.85 70.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.066 HD22 HD11 ' C' ' 344' ' ' LEU . 54.7 mt -72.33 -29.37 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.729 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -71.91 -42.58 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.17 -36.0 71.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.64 -31.37 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.736 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.83 -30.45 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.49 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -61.45 -33.76 74.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.2 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -80.8 -37.64 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.19 176.4 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.404 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.836 0.35 . . . . 0.0 111.219 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 129.76 52.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.404 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 10.1 m-85 -110.52 123.56 50.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.16 122.78 7.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.753 HD22 HD11 ' C' ' 332' ' ' ILE . 0.9 OUTLIER -106.26 126.8 52.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.78 95.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.753 HD11 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -111.06 133.88 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -100.37 71.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.19 134.25 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.27 -44.52 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.0 -47.05 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.414 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 11.2 ttm180 -60.12 -52.64 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.54 -31.9 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.437 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.73 -38.97 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.441 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -65.62 -58.19 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.189 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.414 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -62.38 -27.16 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.41 -41.65 46.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.5 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.47 -31.32 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.493 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 1.066 HD11 HD22 ' B' ' 344' ' ' LEU . 5.0 tp -72.63 -32.91 66.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.566 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.26 -44.03 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.84 -33.51 76.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.517 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -68.32 -40.53 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.714 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.9 mm? -63.49 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.714 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -31.19 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.34 -38.74 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.2 -36.33 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -32.12 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -79.41 -36.19 39.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.08 -174.48 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.49 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.883 0.373 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 68.0 m 60.61 110.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.8 142.2 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.7 124.05 6.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' D' ' 332' ' ' ILE . 11.3 tp -90.79 89.76 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -73.48 82.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.576 HG22 ' H ' ' D' ' 334' ' ' GLY . 25.9 mm -104.67 126.58 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.91 32.07 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.576 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -144.05 130.41 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -36.79 83.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.37 -51.11 21.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -58.74 -48.7 80.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' C' ' 330' ' ' LEU . 16.3 t80 -61.19 -33.54 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -64.46 -55.54 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.486 ' HE2' HD23 ' C' ' 344' ' ' LEU . 4.6 m-85 -58.83 -28.0 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -73.95 -48.97 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.52 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.74 -31.67 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.251 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.784 ' O ' HD13 ' D' ' 348' ' ' LEU . 2.7 mm? -69.85 -46.85 64.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.406 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.61 -38.45 87.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.49 -46.5 66.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.704 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -66.67 -29.0 68.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.784 HD13 ' O ' ' D' ' 344' ' ' LEU . 6.3 mp -69.91 -37.24 75.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.46 -31.14 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.453 HD11 ' NE2' ' A' ' 354' ' ' GLN . 4.0 mm? -61.72 -39.65 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -59.81 -37.67 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.9 -40.85 96.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.13 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.411 HE22 HD21 ' A' ' 350' ' ' LEU . 73.4 mt-30 -68.57 -32.28 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.87 114.6 22.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.551 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.761 0.315 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 41.8 t -106.09 152.98 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 56.7 m-85 -146.65 125.06 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.88 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' B' ' 338' ' ' PHE . 0.4 OUTLIER -108.22 142.46 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.07 115.22 4.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.443 HG23 ' HD2' ' A' ' 337' ' ' ARG . 3.9 mp -122.88 112.89 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.149 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.24 73.0 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.25 145.78 7.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 ttp-105 -78.23 -56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.39 -39.95 92.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.443 ' HD2' HG23 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -62.73 -55.8 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.668 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.58 ' CD1' HD12 ' B' ' 330' ' ' LEU . 58.9 t80 -60.99 -31.56 71.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.02 -37.17 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.589 ' O ' HD23 ' A' ' 344' ' ' LEU . 5.9 ttm -65.58 -56.31 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.316 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.6 -26.04 60.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -47.75 60.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.455 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.52 -30.3 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.23 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 340' ' ' MET . 4.0 mm? -70.41 -43.76 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -41.48 97.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.739 ' O ' HD23 ' A' ' 350' ' ' LEU . 11.9 pt-20 -75.51 -31.07 60.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.77 -29.78 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.974 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.888 HD13 ' CG ' ' B' ' 337' ' ' ARG . 3.2 mt -78.97 -28.65 43.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.8 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.91 -27.34 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.5 mm? -73.15 -39.01 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -27.36 67.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.72 -31.59 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.11 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.88 -32.4 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -128.76 93.42 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.501 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 m 60.82 111.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -133.08 106.31 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.07 135.26 25.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.58 HD12 ' CD1' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -123.67 128.55 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.32 112.38 4.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.602 HD12 ' N ' ' B' ' 332' ' ' ILE . 3.2 mp -110.15 138.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -106.48 31.04 5.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.589 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -147.18 144.54 12.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -76.92 -37.31 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -72.86 -46.19 54.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.888 ' CG ' HD13 ' A' ' 348' ' ' LEU . 5.9 ttm180 -59.57 -51.12 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.564 ' HD2' HD13 ' B' ' 332' ' ' ILE . 23.0 t80 -60.34 -35.09 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.618 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -61.24 -37.91 84.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.81 -56.2 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.508 ' HB2' HD13 ' A' ' 330' ' ' LEU . 5.7 m-85 -58.62 -26.4 63.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -44.09 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.81 -31.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -74.93 -33.9 62.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.628 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -71.87 -39.13 69.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -27.11 47.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.98 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.639 HD12 ' O ' ' B' ' 344' ' ' LEU . 11.9 mt -82.54 -25.47 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.17 -31.17 30.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.77 HD12 ' N ' ' B' ' 351' ' ' LYS . 4.1 pp -79.44 -27.71 41.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.796 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.77 ' N ' HD12 ' B' ' 350' ' ' LEU . 15.3 ttpp -78.83 -34.3 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.711 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.7 -30.82 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.35 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -88.89 -36.95 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.68 82.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.522 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.845 0.355 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.98 126.81 35.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -126.15 123.82 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -83.86 135.73 14.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.519 HD22 HG13 ' C' ' 332' ' ' ILE . 0.8 OUTLIER -117.78 131.62 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . 0.486 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -103.83 100.94 1.94 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.694 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.8 mp -113.22 149.37 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -129.52 76.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.07 124.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -60.82 -37.66 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.41 -46.06 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.517 ' NE ' HD23 ' D' ' 348' ' ' LEU . 6.6 ttm105 -60.13 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.613 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.275 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -59.84 -36.57 77.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.421 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -59.5 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.144 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' C' ' 337' ' ' ARG . 8.7 m-85 -58.02 -22.24 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.211 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -44.46 50.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.463 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -30.63 67.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 344' ' ' LEU . 1.7 mt -72.31 -39.33 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.674 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.3 -39.47 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.473 ' O ' HD12 ' C' ' 350' ' ' LEU . 8.5 mt-10 -71.81 -42.36 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' HD3' ' B' ' 351' ' ' LYS . . . -71.63 -28.77 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.8 tp -74.34 -34.14 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.26 -29.91 67.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.473 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.2 mp -65.89 -38.87 89.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -58.6 -31.7 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.16 -30.8 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.52 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -30.25 26.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.41 96.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.538 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.83 0.347 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 12.4 m 60.65 108.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -123.88 152.42 42.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -132.27 139.39 10.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.524 HD23 ' N ' ' D' ' 331' ' ' GLY . 0.7 OUTLIER -131.15 146.25 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . 0.524 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -106.37 82.49 0.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.498 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -84.46 119.74 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -100.94 72.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -178.7 123.41 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.86 91.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.161 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.56 -52.22 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.208 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.403 ' HD2' HG22 ' D' ' 332' ' ' ILE . 3.7 ptp180 -65.35 -39.82 92.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.719 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -69.84 -32.41 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.344 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.258 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -65.72 -56.85 9.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.78 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -77.37 -43.26 33.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.488 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.36 -30.51 66.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.77 ' O ' HD13 ' D' ' 348' ' ' LEU . 5.1 mp -75.35 -43.6 49.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.488 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.694 ' OD1' HG23 ' C' ' 332' ' ' ILE . 3.1 t30 -68.6 -32.95 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -74.01 -44.92 52.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.519 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.6 -27.5 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.77 HD13 ' O ' ' D' ' 344' ' ' LEU . 5.6 mp -72.21 -38.16 69.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.691 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.28 -46.47 80.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -60.24 -33.2 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -35.94 78.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.63 -33.77 41.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.23 -176.57 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.498 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 3.0 m 61.15 112.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.08 126.8 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -71.85 144.58 36.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.662 HD13 ' CE1' ' B' ' 338' ' ' PHE . 11.0 tp -146.51 137.79 24.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -109.23 82.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.579 HD13 ' HD2' ' A' ' 341' ' ' PHE . 3.9 mt -86.57 130.46 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -103.68 83.25 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.07 125.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -60.54 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.91 -38.2 81.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.541 ' HE ' HD12 ' B' ' 348' ' ' LEU . 2.7 tpt180 -63.2 -56.24 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 15.5 t80 -62.13 -32.44 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.414 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.33 -33.9 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.327 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.4 mtp -67.99 -57.46 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.272 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.579 ' HD2' HD13 ' A' ' 332' ' ' ILE . 2.8 m-85 -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.692 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -76.59 -45.53 29.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.353 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -69.12 -31.79 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.648 HD11 HD21 ' D' ' 344' ' ' LEU . 3.1 mt -68.6 -39.34 80.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.61 -46.09 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.84 -32.76 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.672 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -75.17 -31.97 61.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.854 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.27 -34.77 70.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.64 -29.55 70.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.87 -35.11 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -68.21 -37.08 80.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -64.22 -32.53 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.05 -31.5 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.98 -31.93 45.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.99 160.65 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.487 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 39.8 m 61.17 112.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.4 m-85 -125.13 151.06 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.77 154.81 16.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.881 HD23 HD11 ' B' ' 332' ' ' ILE . 38.9 tp -152.89 149.63 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.98 82.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.881 HD11 HD23 ' B' ' 330' ' ' LEU . 31.0 mm -71.4 115.82 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -96.1 77.4 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.54 140.53 2.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.64 -35.84 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -53.08 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -57.66 -49.06 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.78 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.662 ' CE1' HD13 ' A' ' 330' ' ' LEU . 74.9 t80 -61.44 -34.67 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.11 -37.26 84.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.415 ' O ' HD12 ' B' ' 344' ' ' LEU . 3.1 ttp -66.33 -55.97 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 5.3 m-85 -61.37 -26.97 68.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CD ' ' CE2' ' B' ' 338' ' ' PHE . 5.3 mtp180 -73.45 -42.28 62.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.51 -33.2 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.439 HD13 ' HE1' ' A' ' 341' ' ' PHE . 4.5 mt -71.53 -41.29 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.42 -39.07 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.97 80.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.722 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.26 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.541 HD12 ' HE ' ' A' ' 337' ' ' ARG . 0.8 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -57.74 -30.08 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.82 -36.49 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -66.95 -38.54 86.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -39.67 93.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.43 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -31.62 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.37 136.63 33.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.509 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.431 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 9.1 mt-10 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.85 0.357 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.53 145.71 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 25.6 m-85 -142.65 147.19 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.95 134.28 11.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.587 HD23 HD11 ' C' ' 332' ' ' ILE . 22.8 tp -128.49 114.53 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -90.08 82.48 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.587 HD11 HD23 ' C' ' 330' ' ' LEU . 3.7 mp -86.19 131.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.67 70.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.25 140.96 4.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -78.35 -39.92 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -48.25 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.8 -52.06 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.736 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.9 t80 -62.03 -32.18 72.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.91 -36.96 85.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.528 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.612 ' O ' HD13 ' C' ' 344' ' ' LEU . 1.3 mtp -66.65 -55.62 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.357 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.8 m-85 -62.1 -28.24 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -44.9 26.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 110.441 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.5 -30.41 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.262 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.612 HD13 ' O ' ' C' ' 340' ' ' MET . 6.4 mp -72.38 -42.84 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.39 -36.28 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -73.11 -42.03 63.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.894 HD23 ' HG3' ' D' ' 337' ' ' ARG . 12.6 tp -78.9 -25.51 43.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.736 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.0 -29.17 58.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.84 -45.22 52.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -30.63 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -74.8 -30.39 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.48 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.65 -31.83 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.96 172.72 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 5.6 t 62.6 147.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 29.5 m-85 -148.15 142.36 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.96 116.48 5.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 17.9 tp -109.04 130.09 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.75 82.43 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.566 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mp -83.49 123.36 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 31.19 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.566 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.13 128.93 5.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.26 -47.1 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.9 -40.7 72.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.894 ' HG3' HD23 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -61.96 -55.27 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 15.4 t80 -60.08 -33.69 72.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.85 -37.48 84.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.404 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.464 ' O ' HD23 ' D' ' 344' ' ' LEU . 6.3 ttm -64.87 -57.78 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 7.7 m-85 -58.07 -23.88 56.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -43.66 68.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.49 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -68.74 -31.59 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.738 ' O ' HD23 ' D' ' 348' ' ' LEU . 4.2 mm? -71.71 -44.46 64.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.574 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.02 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -75.15 -36.27 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -75.14 -30.18 60.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.738 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.9 mm? -76.77 -31.84 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -74.14 -31.45 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -31.41 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.76 -34.85 79.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.34 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -78.55 -32.06 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.88 93.98 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.499 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.406 ' O ' ' CE1' ' A' ' 328' ' ' PHE . 5.5 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 30.5 t -89.42 121.27 31.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 11.8 m-85 -108.36 151.43 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.52 157.81 15.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' B' ' 332' ' ' ILE . 5.2 mp -140.94 152.04 44.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.21 82.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.411 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 334' ' ' GLY . 20.2 mm -80.4 141.58 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.337 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 30.65 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -159.64 144.0 9.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -30.85 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -54.29 20.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -48.87 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.794 ' CE2' HD22 ' B' ' 330' ' ' LEU . 24.2 t80 -62.62 -31.95 72.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -37.46 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -57.01 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.77 -26.78 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -73.63 -44.96 55.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.525 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -72.13 -31.69 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.64 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.48 -33.79 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.21 -43.48 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.98 -30.61 58.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.657 HD13 ' HD2' ' B' ' 337' ' ' ARG . 2.4 mt -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.99 -33.81 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.76 -33.17 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -63.71 -34.62 78.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -41.88 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.23 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -78.0 -38.54 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.19 162.25 21.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.846 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.2 t -129.32 112.28 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 61.7 m-85 -101.0 118.41 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.09 138.07 13.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.794 HD22 ' CE2' ' A' ' 338' ' ' PHE . 1.2 pt? -145.72 149.4 34.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -131.73 113.0 1.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.576 HD11 HD12 ' B' ' 330' ' ' LEU . 3.6 mp -102.24 152.32 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.27 38.1 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.33 143.18 14.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -55.27 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -59.65 -48.31 82.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.657 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.31 -53.06 62.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.651 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.51 ' CD2' HD11 ' A' ' 330' ' ' LEU . 16.3 t80 -63.79 -32.03 73.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.65 -35.86 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.0 ttp -67.46 -58.98 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -61.93 -23.68 66.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.9 32.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -32.44 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.866 HD11 HD11 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -73.83 -31.64 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.524 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -40.81 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.691 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.72 -41.52 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.29 -31.29 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.1 mm? -72.06 -31.16 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.64 -31.51 71.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -37.68 81.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.64 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -68.11 -31.26 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.19 -45.8 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.435 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -73.58 -31.39 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.07 143.76 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.479 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.805 0.336 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 6.0 p -104.58 131.94 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.437 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 6.3 m-85 -107.62 142.2 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.64 119.39 6.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.821 HD23 HD11 ' C' ' 332' ' ' ILE . 14.1 tp -97.82 114.6 26.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -96.75 84.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.821 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -92.53 128.77 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -105.7 35.19 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.552 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -148.2 141.56 9.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -74.86 -39.57 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -72.22 -44.86 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.608 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -60.13 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.15 -33.99 72.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -37.36 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.669 ' O ' HD23 ' C' ' 344' ' ' LEU . 0.0 OUTLIER -65.72 -57.38 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.336 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 4.7 m-85 -60.4 -26.99 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -76.32 -46.49 27.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.485 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.79 -31.75 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.866 HD11 HD11 ' B' ' 344' ' ' LEU . 4.0 mm? -69.75 -45.56 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.365 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.451 ' HA ' HD12 ' C' ' 348' ' ' LEU . 52.6 t30 -61.84 -39.91 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.77 -38.73 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.81 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.69 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.778 HD22 ' CZ ' ' D' ' 337' ' ' ARG . 13.5 mt -68.89 -43.44 75.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.12 -25.56 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.435 HD21 ' NE2' ' B' ' 354' ' ' GLN . 2.1 tp -70.79 -34.65 71.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.744 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -62.67 -33.13 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.14 -39.58 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.68 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -71.14 -31.66 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 81.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.52 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 13.2 p -171.27 151.91 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -141.27 136.67 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.79 134.55 11.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.09 121.11 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.67 119.73 6.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.429 HG22 ' H ' ' D' ' 334' ' ' GLY . 4.6 mt -127.33 133.25 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.65 37.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.429 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -134.28 134.81 7.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -42.15 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.45 -46.43 32.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.778 ' CZ ' HD22 ' C' ' 348' ' ' LEU . 1.5 tpp180 -60.62 -53.34 58.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 21.2 t80 -61.9 -32.52 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.28 -36.22 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.244 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.426 ' O ' HD12 ' D' ' 344' ' ' LEU . 8.9 ttm -66.22 -60.59 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.75 -25.46 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -74.67 -41.49 60.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 110.581 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.92 -32.62 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 344' ' ' LEU . 1.8 mp -70.62 -35.24 72.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.671 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.472 HD21 HG23 ' C' ' 332' ' ' ILE . 2.4 t-20 -67.6 -43.21 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.414 ' O ' HD12 ' D' ' 350' ' ' LEU . 41.3 mt-10 -74.56 -26.03 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.16 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.608 HD13 ' HG3' ' C' ' 337' ' ' ARG . 1.2 mt -79.03 -34.94 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.665 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -26.1 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.414 HD12 ' O ' ' D' ' 346' ' ' GLU . 10.0 mt -72.7 -32.97 66.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.54 ' NZ ' HD23 ' D' ' 348' ' ' LEU . 2.1 ptpp? -76.86 -28.48 55.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -77.88 -31.75 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.58 -31.29 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -31.6 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.71 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.524 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.802 0.334 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 68.3 m -95.46 152.3 18.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 14.7 m-85 -145.36 152.25 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.83 112.77 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.618 HD13 ' CE1' ' B' ' 338' ' ' PHE . 22.9 tp -95.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.11 86.88 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.461 HD13 ' ND2' ' B' ' 345' ' ' ASN . 23.9 mm -96.09 140.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.29 79.55 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.32 124.04 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.33 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.32 -42.81 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 3.0 tpp180 -60.93 -53.91 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' B' ' 330' ' ' LEU . 17.2 t80 -61.88 -35.7 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.386 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.47 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.366 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.591 ' O ' HD13 ' A' ' 344' ' ' LEU . 23.6 ttp -66.31 -57.76 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.28 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.4 m-85 -58.99 -29.28 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.73 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.197 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.76 -28.79 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.232 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.785 HD21 HD21 ' D' ' 344' ' ' LEU . 6.0 mp -70.32 -44.23 68.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.479 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -60.55 -39.97 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -67.39 -48.05 68.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.56 -28.34 66.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.897 HD23 ' HD2' ' B' ' 337' ' ' ARG . 2.9 mp -74.24 -30.31 62.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.15 -30.4 67.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -66.67 -40.81 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.696 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 5.6 mtpm? -59.8 -34.06 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.07 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.46 -45.75 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.99 84.09 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.531 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.837 0.351 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 2.4 t 60.88 110.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -139.02 147.4 42.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.16 130.49 10.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.613 HD22 ' CG1' ' B' ' 332' ' ' ILE . 0.4 OUTLIER -112.5 103.4 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.41 82.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.613 ' CG1' HD22 ' B' ' 330' ' ' LEU . 33.3 mt -95.94 140.09 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.085 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -115.96 66.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.63 135.71 3.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -75.62 -43.08 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.16 -41.5 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.897 ' HD2' HD23 ' A' ' 348' ' ' LEU . 1.7 tpp180 -61.95 -55.63 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.656 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 330' ' ' LEU . 16.1 t80 -60.1 -32.94 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.339 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -36.09 79.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.233 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttp -66.76 -61.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.953 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.403 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 7.6 m-85 -60.75 -24.19 65.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.24 -29.59 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' C' ' 344' ' ' LEU . 4.9 mp -74.8 -39.47 61.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.461 ' ND2' HD13 ' A' ' 332' ' ' ILE . 53.5 t30 -72.34 -36.34 68.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.51 -27.04 60.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.659 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.16 -40.9 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.622 HD12 ' N ' ' B' ' 349' ' ' GLU . 4.6 pp -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . 0.622 ' N ' HD12 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -73.58 -28.99 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.611 179.69 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -35.47 80.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -61.28 -33.71 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.32 -45.96 91.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -71.43 -39.88 70.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.75 97.63 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.419 -1.212 . . . . 0.0 112.472 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.841 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 7.4 t -131.21 151.34 51.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 26.1 m-85 -139.1 140.43 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -95.28 118.26 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' C' ' 332' ' ' ILE . 1.2 tt -101.67 133.34 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . 0.52 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -98.86 91.18 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.813 ' CD1' HD22 ' C' ' 330' ' ' LEU . 25.2 mm -94.07 132.5 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -116.01 31.08 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.598 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -144.25 142.6 11.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -53.5 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.5 -49.44 77.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -59.79 -47.14 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.456 ' HB2' HG21 ' C' ' 332' ' ' ILE . 30.9 t80 -61.85 -33.17 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.629 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.28 -41.09 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.621 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.77 -53.31 52.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.44 ' HE1' HD22 ' D' ' 344' ' ' LEU . 2.6 m-85 -61.04 -29.0 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -69.13 -41.64 77.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.724 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -35.39 76.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 344' ' ' LEU . 1.2 mp -69.03 -39.37 79.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -63.6 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.17 -47.85 66.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.646 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.91 68.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.841 HD22 ' HG2' ' D' ' 337' ' ' ARG . 10.1 tp -71.31 -41.74 69.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 -28.76 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -31.37 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -66.6 -31.41 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.46 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -67.92 -33.06 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.27 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.496 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.89 111.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -126.2 148.96 49.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -120.6 137.53 12.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.469 HD12 HD11 ' D' ' 332' ' ' ILE . 1.4 pt? -138.18 152.56 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -128.15 100.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.469 HD11 HD12 ' D' ' 330' ' ' LEU . 28.3 mm -91.67 138.81 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.11 31.61 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.462 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -132.6 122.4 3.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -52.59 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -46.07 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.841 ' HG2' HD22 ' C' ' 348' ' ' LEU . 0.1 OUTLIER -60.0 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 26.3 t80 -61.41 -34.28 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.48 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.24 -36.52 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.69 -57.27 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.341 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.619 ' HE1' HD22 ' C' ' 344' ' ' LEU . 8.3 m-85 -57.64 -26.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -47.62 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.63 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.83 -32.28 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.785 HD21 HD21 ' A' ' 344' ' ' LEU . 1.3 mp -69.39 -35.66 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.627 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -66.0 -45.52 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.696 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -74.34 -31.36 62.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.2 -37.02 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -43.61 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.19 -33.35 75.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -31.15 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -88.23 -47.53 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.63 -68.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.482 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.01 142.15 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -146.33 146.24 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.0 130.55 10.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 341' ' ' PHE . 14.3 mt -106.81 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.13 88.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 330' ' ' LEU . 3.9 mp -108.15 149.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -100.17 32.74 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.37 131.31 6.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -78.12 -36.49 47.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.82 -50.17 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' HG3' HD13 ' B' ' 348' ' ' LEU . 8.0 ttm180 -59.21 -51.38 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 18.1 t80 -61.69 -31.75 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.96 -38.19 90.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.438 ' O ' HD12 ' A' ' 344' ' ' LEU . 26.9 ttp -65.76 -56.72 10.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.357 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.435 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.7 m-85 -60.61 -26.38 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -72.58 -43.25 63.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 -32.1 67.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.799 HD23 HD11 ' D' ' 344' ' ' LEU . 1.2 mp -71.78 -32.75 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.587 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.41 -44.46 71.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.746 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.07 -38.17 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.78 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -70.13 -30.92 68.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.743 HD13 ' HD3' ' A' ' 351' ' ' LYS . 0.4 OUTLIER -70.33 -37.39 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.79 -31.06 70.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -46.4 55.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.743 ' HD3' HD13 ' A' ' 348' ' ' LEU . 4.0 ptmm? -68.78 -29.61 68.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.39 -31.34 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.85 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.27 -43.64 70.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.55 103.52 15.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.49 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.836 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 10.8 t -100.47 147.04 26.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.6 m-85 -117.58 134.72 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.39 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.605 HD13 HD11 ' B' ' 332' ' ' ILE . 0.7 OUTLIER -111.07 132.2 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . 0.463 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -101.73 94.91 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.605 HD11 HD13 ' B' ' 330' ' ' LEU . 3.8 mp -113.67 125.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -100.84 70.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.46 138.54 4.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -35.21 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -48.59 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.408 ' HB3' HG21 ' B' ' 332' ' ' ILE . 0.4 OUTLIER -58.95 -50.52 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE2' ' HG ' ' A' ' 330' ' ' LEU . 51.5 t80 -59.93 -34.94 73.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.35 -39.12 86.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.6 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -65.23 -56.29 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.357 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD11 ' A' ' 330' ' ' LEU . 2.9 m-85 -62.87 -28.84 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -77.85 -41.49 36.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.0 110.547 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.44 -31.03 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.698 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.5 OUTLIER -73.73 -32.93 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.582 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.98 -42.23 69.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.721 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.61 -34.91 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.457 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -75.93 -30.69 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 344' ' ' LEU . 4.3 mt -75.22 -30.25 60.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -71.06 -30.99 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -34.52 76.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.7 -41.08 97.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.17 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.48 -32.54 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.89 83.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.527 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 3.4 m -86.84 121.68 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 19.6 m-85 -110.72 143.54 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.8 107.29 2.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.706 HD12 ' CZ ' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -94.54 138.78 32.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.57 83.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.749 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -91.34 127.36 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -100.11 31.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.576 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -134.63 131.34 5.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -77.19 -40.03 46.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -66.44 -58.42 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.523 ' HG3' HG21 ' C' ' 332' ' ' ILE . 13.0 ptp180 -57.79 -42.03 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.31 -33.74 76.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.66 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.18 -38.6 91.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.428 ' O ' HD12 ' C' ' 344' ' ' LEU . 44.9 mtm -64.77 -53.37 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -59.37 -29.5 67.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -70.95 -47.21 60.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.647 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.698 ' CG ' HD21 ' B' ' 344' ' ' LEU . 0.8 OUTLIER -69.26 -34.96 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.619 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.4 -46.47 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.681 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -67.87 -36.13 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.698 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.17 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -39.21 76.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.779 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.46 -29.38 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -37.76 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 347' ' ' ALA . 1.9 ttmm -64.18 -35.47 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.26 -36.42 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.33 62.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 -31.78 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.34 -174.27 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.524 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 5.1 mm-40 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.86 0.362 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 2.9 t -92.21 147.67 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 17.4 m-85 -137.88 146.92 43.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -96.96 105.24 3.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -90.11 111.43 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.33 84.85 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.32 137.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.75 79.31 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.36 122.52 0.7 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.42 -46.71 89.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.8 -47.79 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.6 tpp180 -60.24 -52.88 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.706 ' CZ ' HD12 ' C' ' 330' ' ' LEU . 23.0 t80 -62.25 -31.2 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -36.37 83.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 mtm -66.53 -56.75 9.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.407 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.624 ' HE1' HD22 ' C' ' 344' ' ' LEU . 4.0 m-85 -61.67 -27.27 68.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.51 ' HA ' HD11 ' C' ' 330' ' ' LEU . 3.4 ttt85 -74.09 -42.7 59.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.57 -32.17 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.799 HD11 HD23 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -72.2 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.661 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.749 ' OD1' HG23 ' C' ' 332' ' ' ILE . 0.7 OUTLIER -70.52 -43.52 69.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.722 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.39 -36.66 83.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.8 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.5 -33.33 75.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.21 -41.45 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.78 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 24.2 mttm -65.06 -31.74 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.2 -37.98 86.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -84.28 -45.62 12.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.0 95.26 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 328' ' ' PHE . 6.8 tt0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 152.86 32.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 326' ' ' GLU . 14.6 m-85 -146.92 125.23 12.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.08 145.88 20.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.804 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.2 tt -128.32 139.58 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.586 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -106.96 90.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.804 ' CD1' HD22 ' A' ' 330' ' ' LEU . 24.5 mm -94.24 126.12 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.65 30.25 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.578 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -142.83 136.38 7.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -35.87 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.03 -47.28 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' B' ' 348' ' ' LEU . 8.4 ttm180 -60.18 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.424 ' CE2' ' HG ' ' B' ' 330' ' ' LEU . 17.6 t80 -60.49 -31.74 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -39.01 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.372 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -65.41 -58.28 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.253 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' B' ' 330' ' ' LEU . 4.3 m-85 -60.52 -25.1 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -72.03 -40.3 68.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.94 -31.64 63.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' D' ' 344' ' ' LEU . 10.1 mt -75.07 -31.33 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -73.28 -38.39 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.707 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.5 mm-40 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.646 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -74.25 -33.92 63.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.69 HD13 ' CG ' ' B' ' 337' ' ' ARG . 3.4 mt -75.14 -27.09 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.05 -31.9 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.4 mm? -74.0 -43.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -29.66 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.9 -30.66 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.06 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -80.94 -34.18 33.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.55 -171.48 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.478 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.34 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 36.0 m 60.15 101.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -105.27 150.26 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.74 119.49 5.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.725 HD22 HD11 ' B' ' 332' ' ' ILE . 0.8 OUTLIER -106.35 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.49 5.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.725 HD11 HD22 ' B' ' 330' ' ' LEU . 3.9 mt -127.18 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -99.53 31.23 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.562 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -146.64 125.04 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.39 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.48 -44.34 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.69 ' CG ' HD13 ' A' ' 348' ' ' LEU . 13.9 mtm180 -60.09 -52.01 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CZ ' ' HG ' ' A' ' 330' ' ' LEU . 16.9 t80 -59.37 -33.07 70.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.706 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.24 -39.76 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.0 ttp -65.18 -55.18 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.2 m-85 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -74.82 -44.52 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.555 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.11 -29.39 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.375 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.789 ' O ' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -74.82 -39.13 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 179.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -67.15 -35.78 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.528 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.14 -46.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.574 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.2 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.789 HD13 ' O ' ' B' ' 344' ' ' LEU . 5.5 mp -71.27 -36.49 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.723 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.66 -30.52 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.38 -46.39 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -63.26 -34.45 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -31.55 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.86 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -86.99 -31.58 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.92 113.88 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 39.0 t -132.57 132.77 42.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 3.9 m-85 -109.49 144.39 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.55 111.82 3.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' D' ' 330' ' ' LEU . 0.7 OUTLIER -96.26 129.62 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . 0.423 ' N ' HD23 ' C' ' 330' ' ' LEU . . . -109.51 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.633 ' CD1' HD22 ' C' ' 330' ' ' LEU . 3.7 mp -108.92 153.22 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -122.94 44.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.15 146.84 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -65.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.5 -36.37 75.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.486 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.2 OUTLIER -63.34 -55.81 21.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 17.0 t80 -60.76 -33.58 73.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.412 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -35.4 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.267 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -66.87 -59.07 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.72 -26.87 67.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -74.48 -43.53 55.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.9 -29.84 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.326 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -73.89 -33.93 64.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.569 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.69 -43.86 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.704 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.433 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.6 tp10 -70.78 -31.39 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -71.12 -35.56 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.683 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.88 -30.66 71.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.433 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.6 mm? -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -65.36 -30.76 71.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.78 -31.36 64.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.07 -34.13 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -31.01 20.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' C' ' 351' ' ' LYS . . . -59.58 -30.94 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.797 0.332 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 34.0 t -93.35 118.44 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 13.3 m-85 -106.45 123.53 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.89 140.46 15.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.899 HD12 HD11 ' D' ' 332' ' ' ILE . 2.1 pt? -141.35 152.62 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.36 93.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.899 HD11 HD12 ' D' ' 330' ' ' LEU . 29.7 mm -94.7 118.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.106 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -99.49 74.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.11 127.77 1.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -71.38 -47.88 53.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.0 -46.48 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -51.2 71.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.427 ' CE2' ' HG ' ' C' ' 330' ' ' LEU . 32.3 t80 -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.71 -38.73 86.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -64.54 -55.17 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.1 m-85 -59.68 -27.94 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.98 -45.61 49.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.57 -31.9 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.783 ' O ' HD23 ' D' ' 348' ' ' LEU . 45.2 mt -72.09 -32.39 66.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.89 -42.27 73.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -30.83 67.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.06 -34.65 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.783 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.8 mm? -71.44 -35.27 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.41 -28.09 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -41.2 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.682 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -69.95 -30.74 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.57 -31.46 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.94 51.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -33.8 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.14 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.489 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.858 0.361 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 23.0 p -155.31 152.75 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -152.91 131.57 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.55 126.32 7.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.872 HD23 HD11 ' A' ' 332' ' ' ILE . 17.4 tp -111.18 112.21 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -91.29 82.83 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.872 HD11 HD23 ' A' ' 330' ' ' LEU . 3.7 mp -86.68 145.45 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -114.72 39.52 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.71 136.69 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -77.29 -33.47 55.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.62 -55.32 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.495 ' HG3' HG21 ' A' ' 332' ' ' ILE . 8.2 ptp180 -58.17 -42.67 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.592 ' CD2' HD13 ' A' ' 332' ' ' ILE . 28.4 t80 -63.9 -36.24 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.47 -38.57 87.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.618 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -53.68 44.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.407 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 2.8 m-85 -59.67 -29.78 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -71.06 -46.61 61.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.898 HD11 HD21 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -73.81 -35.63 64.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.6 -38.41 80.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -68.21 -40.26 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -67.3 -42.68 83.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.14 -28.03 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.66 HD23 ' CD ' ' D' ' 354' ' ' GLN . 4.2 mp -70.13 -48.54 57.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -62.85 -30.69 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.75 -33.67 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.56 -32.64 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -31.32 23.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.98 166.19 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.492 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.84 0.352 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 14.4 t -132.25 152.83 51.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -143.4 134.93 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -93.89 122.3 7.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.55 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.616 HD23 ' N ' ' B' ' 331' ' ' GLY . 1.5 tt -108.54 138.71 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . 0.616 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -100.52 104.14 2.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' B' ' 337' ' ' ARG . 3.8 mp -108.78 127.01 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -106.5 31.36 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.593 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -141.61 131.08 4.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -62.95 -54.96 30.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -64.37 -37.47 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.636 ' HD2' HG23 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -63.14 -55.91 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.729 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.582 ' CD1' HD13 ' B' ' 332' ' ' ILE . 16.6 t80 -60.6 -31.77 70.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.64 -36.08 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttm -66.95 -56.04 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -27.24 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.68 -45.64 51.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.51 -31.08 66.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.857 HD11 HD21 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -72.54 -32.99 66.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.533 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 332' ' ' ILE . 3.0 t30 -69.28 -43.78 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.767 ' O ' HD23 ' B' ' 350' ' ' LEU . 12.7 pt-20 -70.73 -32.26 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -31.38 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -72.74 -36.48 67.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -67.43 -31.27 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.767 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -67.5 -39.63 85.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 30.9 mtpt -60.43 -31.26 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -63.94 -37.3 86.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.53 97.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -76.86 -36.51 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.48 82.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.807 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m 61.65 153.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -153.63 151.69 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -142.34 139.41 9.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' D' ' 338' ' ' PHE . 1.4 pt? -135.27 152.34 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -95.91 127.36 9.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.496 HD11 ' HG ' ' C' ' 330' ' ' LEU . 3.9 mp -122.7 147.18 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -118.21 78.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.67 144.99 4.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -75.22 -46.98 30.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.63 -32.07 73.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.487 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -65.96 -59.75 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.595 ' CE2' HD13 ' D' ' 330' ' ' LEU . 16.6 t80 -62.44 -30.69 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.249 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.87 -33.1 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.195 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -68.15 -58.93 3.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.9 m-85 -63.69 -26.39 68.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -77.05 -38.43 52.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.523 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.55 -31.23 57.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.857 HD21 HD11 ' B' ' 344' ' ' LEU . 1.5 tp -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.557 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -73.31 -44.76 58.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.03 -34.13 68.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -75.42 -30.74 60.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.658 HD12 ' O ' ' C' ' 344' ' ' LEU . 5.5 mt -72.84 -33.62 66.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -66.32 -30.9 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.77 -47.01 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.85 -31.62 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -31.5 66.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.41 -31.19 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -93.38 -40.24 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.93 105.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.498 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' D' ' 328' ' ' PHE . 2.7 mp0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 78.3 p -92.2 152.87 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' D' ' 326' ' ' GLU . 17.2 m-85 -141.41 140.32 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.82 120.49 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 1.06 HD23 HD11 ' D' ' 332' ' ' ILE . 19.9 tp -108.44 132.77 53.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -118.74 82.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 1.06 HD11 HD23 ' D' ' 330' ' ' LEU . 3.7 mp -83.36 146.96 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -114.93 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.82 148.15 6.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -77.81 -63.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.94 -35.86 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.649 ' CD ' HD13 ' C' ' 348' ' ' LEU . 3.3 tpp180 -63.71 -56.61 14.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' C' ' 330' ' ' LEU . 30.7 t80 -59.64 -32.46 70.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.312 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.466 ' O ' HD12 ' D' ' 344' ' ' LEU . 13.3 ttm -66.26 -59.91 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.164 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.564 ' HE1' HD23 ' C' ' 344' ' ' LEU . 4.1 m-85 -62.3 -24.98 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -77.43 -37.49 51.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.54 -29.58 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.898 HD21 HD11 ' A' ' 344' ' ' LEU . 1.1 mp -76.4 -32.12 58.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.669 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.12 -40.21 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.25 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.34 -31.23 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.96 -24.1 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -82.08 -32.86 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.719 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.5 pp -79.58 -29.09 41.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.719 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -80.78 -30.32 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.699 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.44 -29.69 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.89 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.66 ' CD ' HD23 ' A' ' 350' ' ' LEU . 9.8 pt20 -82.8 -31.63 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.65 83.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.499 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 22.6 t -137.65 143.91 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -121.88 109.55 14.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.55 142.04 15.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.853 ' CD1' HD11 ' A' ' 332' ' ' ILE . 1.4 pt? -136.35 141.21 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.91 106.15 2.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.853 HD11 ' CD1' ' A' ' 330' ' ' LEU . 3.5 mp -101.64 137.21 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -135.94 123.48 2.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -67.69 -34.75 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -46.97 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.464 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -60.3 -52.91 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.39 -32.28 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.6 -37.53 87.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.1 ttp -65.36 -55.32 18.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.44 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.01 -26.39 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -45.39 64.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.864 0.364 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.63 -30.32 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.089 HD21 HD22 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -75.03 -39.67 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.67 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -71.26 -34.85 71.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.17 -36.27 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.31 -33.49 63.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.572 HD12 ' HD3' ' B' ' 337' ' ' ARG . 25.0 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -71.15 -30.57 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.63 -35.79 81.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 0.0 OUTLIER -65.04 -31.87 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.4 -32.75 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.86 78.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -75.64 -32.16 60.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -86.92 -173.31 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.516 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' B' ' 328' ' ' PHE . 3.7 tp10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 23.5 m -67.89 150.06 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' B' ' 326' ' ' GLU . 33.6 m-85 -133.57 147.16 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.81 141.71 15.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 1.019 HD22 HD11 ' B' ' 332' ' ' ILE . 0.9 OUTLIER -132.8 122.67 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.16 118.42 5.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 1.019 HD11 HD22 ' B' ' 330' ' ' LEU . 3.7 mp -129.86 138.95 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -100.65 31.41 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.475 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -130.78 112.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -33.68 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.28 -52.08 15.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.572 ' HD3' HD12 ' A' ' 348' ' ' LEU . 6.6 ttm180 -58.23 -48.94 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.694 ' CE2' HD22 ' A' ' 330' ' ' LEU . 16.5 t80 -61.53 -34.01 74.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.597 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.64 -38.17 86.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.474 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -65.36 -57.08 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.342 179.537 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.426 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.9 m-85 -60.43 -26.93 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -71.73 -41.44 68.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.548 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -30.74 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.483 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.877 HD21 HD21 ' C' ' 344' ' ' LEU . 1.2 mp -74.99 -31.99 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.688 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.72 HD21 HG23 ' A' ' 332' ' ' ILE . 27.1 t-20 -73.34 -40.25 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.95 -31.94 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.464 HD13 ' HG2' ' A' ' 337' ' ' ARG . 37.8 mt -76.67 -28.65 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -30.33 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.22 -35.03 79.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 23.7 mttt -60.55 -33.83 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.44 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.82 94.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.28 -178.03 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 18.3 t -79.08 152.78 30.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.438 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 16.7 m-85 -133.27 147.13 51.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.82 120.46 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.458 HD23 ' CE1' ' D' ' 338' ' ' PHE . 0.2 OUTLIER -101.05 110.18 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -74.98 117.41 5.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.495 HD11 HD12 ' D' ' 330' ' ' LEU . 18.0 mt -129.61 136.97 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -31.04 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -87.16 137.39 14.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -70.21 -38.17 75.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.66 -53.2 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' C' ' 342' ' ' ARG . 19.6 t80 -60.04 -31.54 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.83 -38.55 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.9 ttp -65.51 -56.85 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.663 ' HB2' HD11 ' D' ' 330' ' ' LEU . 4.5 m-85 -60.68 -27.05 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.773 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.434 ' HD2' ' CE1' ' C' ' 338' ' ' PHE . 1.7 tpm_? -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.542 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.39 -31.89 60.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.486 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.877 HD21 HD21 ' B' ' 344' ' ' LEU . 1.5 mp -75.4 -32.63 60.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.54 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.57 -40.02 66.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.69 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.556 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.2 mm-40 -71.32 -38.04 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.694 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.461 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -71.23 -31.51 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.478 HD13 ' HD3' ' C' ' 351' ' ' LYS . 1.2 mm? -71.57 -35.93 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.47 -31.37 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.556 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.3 mp -67.2 -42.21 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.478 ' HD3' HD13 ' C' ' 348' ' ' LEU . 11.6 mtpt -59.85 -34.52 73.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -64.17 -38.85 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.22 -31.27 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.48 84.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.534 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 22.9 t 62.22 150.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -152.92 150.69 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.49 127.65 9.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' C' ' 341' ' ' PHE . 0.6 OUTLIER -107.22 118.35 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -100.78 101.31 2.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.637 HD11 HD22 ' D' ' 330' ' ' LEU . 3.1 mp -109.22 139.27 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.05 31.25 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.594 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.09 141.96 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -78.17 -36.56 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.46 -49.62 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.9 ttm105 -59.32 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.621 ' HD1' HD13 ' D' ' 332' ' ' ILE . 35.9 t80 -62.43 -33.46 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.3 -36.79 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -65.85 -55.55 16.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.4 m-85 -59.03 -25.61 63.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -45.26 63.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.599 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -71.2 -31.81 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 1.089 HD22 HD21 ' A' ' 344' ' ' LEU . 64.4 mt -73.68 -30.98 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.47 -40.65 70.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.99 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.684 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -68.23 -31.8 71.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.821 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.7 mm? -68.39 -41.64 80.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -24.54 60.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' D' ' 350' ' ' LEU . 8.7 tp -75.21 -36.97 61.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -29.74 64.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.21 -33.21 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.86 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -32.07 65.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -136.18 101.24 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.478 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 20.5 p -82.24 152.82 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 25.0 m-85 -131.9 137.85 48.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -94.23 125.61 8.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 332' ' ' ILE . 0.8 OUTLIER -114.79 114.68 25.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -70.34 82.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.744 ' CD1' HD22 ' A' ' 330' ' ' LEU . 29.5 mm -80.58 108.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 84.69 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.54 142.82 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -77.27 -36.14 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -48.02 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.726 ' HG3' HD13 ' B' ' 348' ' ' LEU . 8.4 ttm180 -59.54 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' B' ' 330' ' ' LEU . 36.5 t80 -61.23 -32.62 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.51 -37.87 87.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.486 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -57.02 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.324 179.559 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' B' ' 330' ' ' LEU . 3.5 m-85 -61.64 -26.63 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -72.17 -40.31 68.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.476 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.37 -31.26 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.879 HD21 HD21 ' D' ' 344' ' ' LEU . 1.4 mp -76.47 -32.76 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -75.46 -39.79 58.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.731 ' O ' HD23 ' A' ' 350' ' ' LEU . 38.1 mt-10 -72.89 -30.68 64.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.727 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.576 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -75.46 -36.31 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.818 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.3 mt -72.15 -31.69 66.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -69.61 -30.71 68.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.78 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.5 mm? -66.41 -43.06 86.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -60.99 -36.51 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.55 80.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -77.66 -31.62 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.46 126.28 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.456 179.981 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 4.0 mp0 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 7.5 p -96.15 152.8 18.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 52.2 m-85 -146.86 129.57 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -80.08 122.03 5.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.715 HD23 HD11 ' B' ' 332' ' ' ILE . 6.2 tp -106.1 100.97 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -88.51 116.15 4.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.715 HD11 HD23 ' B' ' 330' ' ' LEU . 3.8 mp -125.62 120.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -79.25 -31.24 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -84.76 125.13 7.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -61.49 -47.21 86.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.818 ' CG ' HD13 ' A' ' 348' ' ' LEU . 9.3 mtm180 -59.74 -51.71 68.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 17.0 t80 -60.04 -33.62 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.67 -39.56 91.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -64.45 -55.38 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.2 m-85 -59.13 -25.58 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.002 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -41.75 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.584 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -74.99 -31.25 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.716 ' O ' HD12 ' B' ' 348' ' ' LEU . 28.4 mt -76.26 -30.31 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -74.33 -38.02 63.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -74.83 -32.57 61.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.451 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -76.68 -31.16 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.7 OUTLIER -76.03 -32.61 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.898 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -30.32 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.46 75.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.13 -35.46 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.23 -31.72 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.2 -37.16 80.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -77.38 -176.21 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.473 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 93.7 p -92.16 152.12 20.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.404 ' CE2' ' O ' ' C' ' 326' ' ' GLU . 13.8 m-85 -134.36 141.79 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.81 121.35 6.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.679 HD22 HG13 ' C' ' 332' ' ' ILE . 1.0 OUTLIER -105.54 135.04 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.76 84.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.679 HG13 HD22 ' C' ' 330' ' ' LEU . 3.9 mt -89.33 120.5 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.21 86.5 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.41 142.66 3.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.32 -60.93 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -60.2 -39.02 85.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 1.6 tpp180 -62.23 -54.57 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 15.7 t80 -60.35 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.545 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.343 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.22 -58.17 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.295 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.495 ' HE1' HD22 ' D' ' 344' ' ' LEU . 4.0 m-85 -60.59 -27.39 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -74.97 -44.97 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.515 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.74 -32.01 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.645 HD22 HD22 ' B' ' 344' ' ' LEU . 62.2 mt -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.38 -45.99 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.68 -38.96 87.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.725 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.94 -31.87 71.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -38.72 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.682 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.54 -31.1 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.43 -41.33 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 7.9 mmtp -58.51 -30.88 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.61 -31.5 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.35 -45.18 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.18 -34.68 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.43 133.11 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.0 t 60.67 110.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.5 m-85 -116.74 146.7 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -106.65 126.3 8.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.748 HD23 HD11 ' D' ' 332' ' ' ILE . 32.2 tp -108.66 143.1 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.32 82.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.748 HD11 HD23 ' D' ' 330' ' ' LEU . 3.7 mp -100.84 115.83 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.43 34.03 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.455 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.38 125.62 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.03 -36.02 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -73.4 -51.58 16.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -58.41 -49.86 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' C' ' 330' ' ' LEU . 19.7 t80 -61.42 -33.41 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.22 -37.72 86.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.451 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -56.68 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 5.3 m-85 -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.22 -42.67 71.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.82 -30.2 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.879 HD21 HD21 ' A' ' 344' ' ' LEU . 1.8 mp -74.23 -36.49 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.654 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -39.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -76.12 -24.09 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -82.06 -33.35 29.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.862 HD12 ' N ' ' D' ' 349' ' ' GLU . 4.0 pp -77.33 -31.0 54.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.805 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . 0.862 ' N ' HD12 ' D' ' 348' ' ' LEU . 12.8 pt-20 -74.35 -27.56 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.638 179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -33.5 74.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.576 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 19.8 mttm -61.08 -33.38 73.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -61.76 -51.1 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -79.27 -46.46 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.13 -65.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.49 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.432 ' HG2' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.185 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 4.1 t -69.59 122.52 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' A' ' 326' ' ' GLU . 24.7 m-85 -107.99 152.33 24.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -91.34 132.97 11.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.594 HD22 HG13 ' A' ' 332' ' ' ILE . 0.8 OUTLIER -116.5 135.9 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.346 . . . . 0.0 110.904 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -92.66 82.55 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.594 HG13 HD22 ' A' ' 330' ' ' LEU . 4.8 mt -93.59 112.77 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -92.24 80.24 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.85 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -32.92 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.66 -50.36 17.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.511 ' CD ' HD13 ' B' ' 348' ' ' LEU . 3.6 ttm105 -59.15 -51.48 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.734 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.677 ' CE2' HD12 ' B' ' 330' ' ' LEU . 44.0 t80 -61.86 -32.38 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.0 ttm -66.28 -56.65 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 5.3 m-85 -60.8 -27.73 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -74.77 -43.97 52.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.659 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 -32.03 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.769 HD21 HD11 ' D' ' 344' ' ' LEU . 0.8 OUTLIER -70.43 -40.49 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.592 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.64 -40.12 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.659 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.34 -45.09 89.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.12 -31.62 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.812 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.456 HD22 ' HG2' ' B' ' 337' ' ' ARG . 1.1 mp -66.14 -49.56 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.13 -30.61 71.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.41 -43.4 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -66.38 -30.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.17 -31.33 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.53 59.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.53 -37.07 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.96 175.4 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.9 t 60.9 111.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -138.47 143.96 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -99.37 137.58 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.677 HD12 ' CE2' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -125.67 125.92 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.44 99.97 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.62 HD11 HD22 ' B' ' 330' ' ' LEU . 4.0 mp -107.26 124.53 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -83.38 77.47 9.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.46 117.59 0.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -45.27 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.88 -49.28 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.456 ' HG2' HD22 ' A' ' 348' ' ' LEU . 1.5 tpp180 -59.41 -50.95 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.787 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 330' ' ' LEU . 16.5 t80 -62.29 -33.08 73.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.453 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.44 -37.1 84.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.38 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.2 -58.27 6.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.261 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.655 ' HE1' HD22 ' A' ' 344' ' ' LEU . 5.0 m-85 -59.87 -28.02 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.567 ' HA ' HD11 ' A' ' 330' ' ' LEU . 3.6 ttt180 -73.51 -42.5 61.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.94 -31.35 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.644 HD13 HD11 ' C' ' 344' ' ' LEU . 44.0 mt -70.85 -34.69 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.533 ' OD1' HG23 ' A' ' 332' ' ' ILE . 0.4 OUTLIER -70.14 -44.89 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.771 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.12 -30.5 66.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.755 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.476 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -76.5 -34.31 58.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.518 HD23 ' HE3' ' B' ' 351' ' ' LYS . 0.5 OUTLIER -73.29 -30.05 63.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.881 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.5 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -41.58 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.568 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 5.0 ptpt -69.93 -29.24 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.9 -31.42 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.64 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.33 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.62 33.71 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 4.6 t -139.02 149.74 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -152.72 112.93 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.89 114.84 4.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.711 HD22 HG13 ' C' ' 332' ' ' ILE . 0.7 OUTLIER -99.7 132.16 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.943 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.67 83.25 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.711 HG13 HD22 ' C' ' 330' ' ' LEU . 3.8 mp -91.22 115.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -92.32 76.68 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.78 143.84 6.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -78.36 -48.49 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.22 -43.51 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.64 ' HG3' HD13 ' D' ' 348' ' ' LEU . 2.2 ttm180 -61.23 -53.79 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 16.4 t80 -61.26 -31.74 71.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.27 -36.14 83.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.8 mtp -67.4 -56.28 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.7 m-85 -62.88 -25.46 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -76.98 -41.69 41.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.59 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.01 -30.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.644 HD11 HD13 ' B' ' 344' ' ' LEU . 2.0 tp -75.42 -29.87 59.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -74.57 -40.9 61.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.572 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.3 OUTLIER -72.02 -34.54 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.568 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -74.94 -34.17 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.536 HD13 ' CG ' ' D' ' 337' ' ' ARG . 11.8 mt -72.45 -29.98 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.72 -30.76 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.572 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.1 mm? -62.89 -37.01 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 15.8 mttt -58.19 -35.97 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.58 -41.09 89.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.3 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -79.87 -32.79 40.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.1 84.07 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.535 179.988 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 25.2 t 60.26 92.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 9.8 m-85 -105.29 123.81 48.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.27 141.8 17.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' D' ' 332' ' ' ILE . 0.8 OUTLIER -140.07 132.55 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . 0.481 ' N ' HD23 ' D' ' 330' ' ' LEU . . . -97.4 82.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' D' ' 330' ' ' LEU . 3.8 mp -89.64 110.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -83.9 77.26 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.35 114.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.82 -37.47 82.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.45 -47.25 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.536 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.72 -51.62 69.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.894 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CZ ' ' HG ' ' C' ' 330' ' ' LEU . 17.0 t80 -60.65 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.62 -37.76 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.11 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 179.507 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.405 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.57 -26.67 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -71.38 -44.9 64.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.479 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.83 -29.52 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.769 HD11 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -73.52 -36.9 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.628 179.709 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.07 -39.37 82.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.753 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' HD23 ' D' ' 350' ' ' LEU . 5.6 mm-40 -70.14 -39.01 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -70.86 -31.12 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.64 HD13 ' HG3' ' C' ' 337' ' ' ARG . 1.5 mt -75.49 -29.57 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.8 -31.13 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.486 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.9 mm? -74.89 -42.82 57.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -29.07 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.59 -31.2 52.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.09 62.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.62 -31.48 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -129.55 85.17 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.494 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 17.5 t -130.26 151.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 13.8 m-85 -147.64 138.32 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.4 139.09 14.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.822 HD22 ' CD1' ' A' ' 332' ' ' ILE . 1.1 tt -128.4 127.02 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.437 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -95.63 82.14 0.84 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.822 ' CD1' HD22 ' A' ' 330' ' ' LEU . 25.4 mm -77.55 123.67 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 36.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.442 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.42 135.54 7.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -67.36 -66.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.27 -36.48 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.542 ' HG3' HD13 ' B' ' 348' ' ' LEU . 11.6 ttm180 -62.7 -55.25 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' B' ' 330' ' ' LEU . 74.2 t80 -59.95 -36.0 76.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.26 -35.42 77.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -66.4 -57.28 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.423 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.5 m-85 -61.59 -27.54 68.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -41.16 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.38 -30.35 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.753 ' O ' HD12 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -74.18 -32.27 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.686 179.75 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.48 -41.47 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.67 -32.0 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.769 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -32.69 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.9 OUTLIER -76.09 -28.73 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.46 -29.56 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.781 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.24 -34.62 76.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -62.4 -31.44 72.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -31.47 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.06 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -86.53 -31.7 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.79 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.529 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 11.7 p 59.42 108.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -113.11 142.0 46.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.05 115.9 4.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.799 HD12 ' CE2' ' A' ' 338' ' ' PHE . 0.6 OUTLIER -107.16 135.56 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -106.41 86.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.606 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -88.93 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -124.29 74.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 159.5 146.52 4.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -76.7 -45.3 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -61.4 -45.91 92.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.693 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.85 -53.85 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 179.844 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 15.7 t80 -62.11 -31.82 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.404 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.29 -36.5 83.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.361 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -66.68 -58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.275 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.457 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 3.5 m-85 -63.22 -25.86 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -76.73 -38.51 54.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.562 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.3 -30.3 57.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.84 ' CD1' HD11 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -75.23 -30.93 60.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.765 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -74.6 -41.82 59.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.72 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 350' ' ' LEU . 41.7 tt0 -70.76 -31.78 68.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.29 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 337' ' ' ARG . 8.0 mt -70.56 -31.88 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.664 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -31.07 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.652 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -64.74 -45.08 87.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.471 ' HE2' ' HB2' ' C' ' 347' ' ' ALA . 10.5 ttmm -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -32.78 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -66.57 -33.38 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 110.9 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.531 179.992 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.853 0.358 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.9 m 61.16 112.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -125.74 142.62 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.3 123.16 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.626 HD22 HD11 ' C' ' 332' ' ' ILE . 3.4 tt -109.14 135.92 49.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.06 115.4 5.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.659 HG21 ' HB2' ' C' ' 338' ' ' PHE . 3.7 mp -121.84 129.82 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -111.08 33.04 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.571 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -150.0 140.81 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -77.63 -41.64 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.49 -48.39 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 6.6 ttm180 -59.2 -50.82 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.659 ' HB2' HG21 ' C' ' 332' ' ' ILE . 21.7 t80 -60.53 -31.33 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.648 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -40.34 97.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 27.8 mtm -64.25 -54.28 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -58.75 -28.01 65.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -73.72 -49.79 23.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.557 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -30.97 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.994 HD12 HD11 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -69.47 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.471 179.543 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.36 -38.61 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.766 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.616 ' O ' HD23 ' C' ' 350' ' ' LEU . 7.8 tt0 -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.724 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.471 ' HB2' ' HE2' ' B' ' 351' ' ' LYS . . . -74.63 -30.23 61.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 179.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.994 HD11 HD12 ' C' ' 344' ' ' LEU . 9.3 mt -76.26 -28.95 57.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.29 -29.53 62.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.616 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.0 mm? -74.37 -45.34 47.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -28.53 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.96 -30.99 44.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.45 -31.18 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -83.98 -33.54 24.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.15 158.35 31.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.491 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.786 0.327 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.28 109.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.46 144.85 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.01 137.48 13.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.696 HD22 HG13 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -119.77 122.5 41.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -94.15 82.93 0.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.696 HG13 HD22 ' D' ' 330' ' ' LEU . 4.6 mt -84.61 126.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.067 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 33.48 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.553 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -146.83 143.11 11.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -77.35 -42.56 36.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.61 ' HG2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.74 -51.81 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.48 ' HA ' HD13 ' D' ' 332' ' ' ILE . 17.1 t80 -59.3 -33.08 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -41.02 96.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 mtm -65.69 -55.98 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.288 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -63.24 -26.05 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -76.65 -42.28 42.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.562 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -31.98 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.753 ' CG ' HD21 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -73.26 -31.1 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.607 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.66 -43.22 66.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.756 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.47 -34.93 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.52 -29.47 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.491 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.4 mm? -73.17 -37.71 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.79 -28.3 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.81 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.43 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -74.26 -29.35 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.11 -30.71 55.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.77 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -33.63 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.99 140.57 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.12 112.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.9 m-85 -128.31 137.65 52.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.55 103.19 2.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.412 ' HG ' HD11 ' A' ' 332' ' ' ILE . 15.7 tp -88.87 123.49 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.33 3.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.645 HD13 ' CD2' ' B' ' 330' ' ' LEU . 3.5 mp -120.37 153.57 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -134.63 50.61 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.46 19.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -60.61 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -37.73 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.3 OUTLIER -63.36 -56.83 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD1' ' CB ' ' B' ' 328' ' ' PHE . 23.0 t80 -60.83 -31.62 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.301 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.39 -36.82 83.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.4 mtm -66.25 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.022 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.8 m-85 -60.1 -23.73 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -73.35 -42.95 61.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.384 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.45 -32.04 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.012 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -72.5 -33.68 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.503 ' ND2' HD12 ' B' ' 330' ' ' LEU . 10.2 m-20 -68.83 -43.28 75.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -72.72 -31.71 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.86 52.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -76.29 -30.08 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -72.72 -31.04 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.9 -36.72 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -61.45 -35.15 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -40.54 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.27 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.0 -31.85 61.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.96 161.6 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.62 101.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.443 ' CB ' ' CD1' ' A' ' 338' ' ' PHE . 22.1 m-85 -110.71 145.46 37.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -133.72 144.39 16.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.645 ' CD2' HD13 ' A' ' 332' ' ' ILE . 1.9 pt? -144.08 134.65 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.332 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.04 9.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.707 HG21 ' HD2' ' B' ' 337' ' ' ARG . 3.7 mp -127.29 140.07 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -98.8 31.14 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.438 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -125.01 135.85 9.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -78.19 -38.77 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -72.01 -49.66 35.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.707 ' HD2' HG21 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -59.41 -52.24 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.728 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 40.0 t80 -61.78 -33.02 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -38.02 88.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.542 179.638 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -64.8 -55.84 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.25 -25.36 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.052 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -72.71 -31.05 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.549 ' CD2' HD22 ' C' ' 344' ' ' LEU . 14.3 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.714 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.39 -42.76 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.72 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.56 -31.38 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 344' ' ' LEU . 1.9 mm? -74.65 -33.39 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.07 -31.35 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.458 HD12 ' OE1' ' B' ' 354' ' ' GLN . 0.1 OUTLIER -66.05 -34.4 77.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 16.3 mttt -61.67 -35.83 79.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.63 -38.66 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.85 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.665 HE22 HD13 ' C' ' 350' ' ' LEU . 1.6 mt-30 -74.97 -31.57 61.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.37 37.78 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.5 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 27.4 p -102.73 136.11 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -105.97 97.68 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.26 153.49 26.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.823 HD22 ' CE2' ' D' ' 338' ' ' PHE . 1.5 pt? -157.96 152.59 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.23 84.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.446 HG13 HD12 ' C' ' 330' ' ' LEU . 2.8 mp -75.79 126.5 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -94.0 147.24 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.26 136.53 6.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -75.06 -30.63 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.27 -49.16 36.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.497 ' CG ' HD23 ' D' ' 348' ' ' LEU . 0.4 OUTLIER -59.27 -51.63 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 179.914 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -62.25 -35.17 78.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.44 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.0 -35.48 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -65.95 -57.85 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.297 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -59.07 -23.5 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.583 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.83 -29.72 61.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.549 HD22 ' CD2' ' B' ' 344' ' ' LEU . 89.2 mt -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -75.26 -42.68 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.03 -30.73 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.766 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.451 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -78.86 -30.95 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.683 HD13 ' CG ' ' D' ' 337' ' ' ARG . 7.3 mt -76.84 -29.67 56.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -73.15 -30.82 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.665 HD13 HE22 ' B' ' 354' ' ' GLN . 1.8 mt -68.23 -36.0 78.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.81 -36.92 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.79 -31.55 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.79 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -82.56 -49.86 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.79 84.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.527 -179.985 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.438 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 3.5 mm-40 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 29.1 p -91.96 141.51 28.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 25.1 m-85 -141.36 118.2 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.79 165.01 53.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.729 HD13 HD11 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -155.34 135.8 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . 0.433 ' H ' HD23 ' D' ' 330' ' ' LEU . . . -111.81 90.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.729 HD11 HD13 ' D' ' 330' ' ' LEU . 4.7 mt -104.37 128.46 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -95.18 71.22 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.35 134.42 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -77.26 -31.65 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -71.21 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.683 ' CG ' HD13 ' C' ' 348' ' ' LEU . 31.7 mtm-85 -58.24 -42.04 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.823 ' CE2' HD22 ' C' ' 330' ' ' LEU . 15.9 t80 -67.98 -30.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.414 ' HA ' ' CG ' ' D' ' 342' ' ' ARG . 0.9 OUTLIER -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.562 ' O ' HD12 ' D' ' 344' ' ' LEU . 3.1 mtp -73.45 -51.0 18.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.382 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.524 ' HD1' HD13 ' D' ' 332' ' ' ILE . 2.0 m-85 -67.09 -29.45 69.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.41 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' D' ' 339' ' ' GLU . 4.2 ppt_? -83.27 -34.3 25.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.865 0.364 . . . . 0.0 110.387 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.89 -30.54 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.255 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 1.012 HD21 HD21 ' A' ' 344' ' ' LEU . 6.3 mt -76.4 -37.21 57.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -70.09 -38.42 75.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.5 -42.22 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.42 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.768 179.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.799 HD13 ' O ' ' D' ' 344' ' ' LEU . 5.6 mp -77.3 -25.53 51.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -79.83 -35.21 38.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.764 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.4 pp -77.82 -31.64 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.764 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -78.33 -28.24 47.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.746 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.75 -30.61 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -69.67 -46.74 65.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.02 98.26 10.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.494 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.823 0.344 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.4 m 62.74 147.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -153.22 152.59 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.33 143.09 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.826 ' CD1' HD11 ' A' ' 332' ' ' ILE . 1.1 pt? -136.45 151.71 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -121.45 86.48 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.826 HD11 ' CD1' ' A' ' 330' ' ' LEU . 3.7 mp -74.68 144.82 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -98.61 34.25 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.35 119.97 1.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.46 -34.83 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -71.89 -49.33 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.663 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.13 -50.9 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.784 ' CE1' HD23 ' B' ' 330' ' ' LEU . 17.4 t80 -60.39 -32.17 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -62.58 -40.08 95.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.412 ' O ' HD12 ' A' ' 344' ' ' LEU . 9.0 mtm -66.06 -55.95 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.286 179.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.31 -25.69 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -73.69 -41.05 63.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.593 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -74.37 -31.77 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.51 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.786 ' O ' HD12 ' A' ' 348' ' ' LEU . 1.4 mp -74.61 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.679 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.406 ' OD1' ' CE2' ' B' ' 341' ' ' PHE . 3.5 m120 -71.43 -39.32 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.6 -35.9 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.21 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.09 -30.83 58.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.2 -31.43 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.799 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.23 -33.81 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.562 ' CE ' ' HB2' ' D' ' 347' ' ' ALA . 5.2 mtpm? -61.63 -34.04 74.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.23 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.38 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -75.35 -33.68 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.1 160.02 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.518 -179.982 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.838 0.351 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.7 t 60.89 111.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 15.6 m-85 -122.89 147.64 46.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.63 133.42 6.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.784 HD23 ' CE1' ' A' ' 338' ' ' PHE . 3.8 pp -135.2 149.11 49.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -97.14 157.12 20.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' B' ' 330' ' ' LEU . 3.8 mp -143.49 135.74 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.62 34.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.75 129.74 2.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -69.91 -32.49 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.71 -47.02 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 348' ' ' LEU . 10.6 mtm180 -59.79 -51.69 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.748 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.728 ' CE1' HD22 ' A' ' 330' ' ' LEU . 17.5 t80 -60.43 -32.14 71.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.647 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.86 -38.68 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.515 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -65.78 -55.95 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.413 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 345' ' ' ASN . 3.2 m-85 -61.22 -25.7 67.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -75.98 -45.78 33.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.605 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.54 -30.19 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.438 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.778 HD21 ' HG ' ' C' ' 344' ' ' LEU . 2.3 mt -73.76 -31.0 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.618 179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.406 ' OD1' HG23 ' A' ' 332' ' ' ILE . 0.7 OUTLIER -72.03 -44.04 64.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.74 179.848 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.48 -32.33 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.45 56.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.663 HD13 ' HG2' ' A' ' 337' ' ' ARG . 8.5 mt -75.05 -32.45 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.781 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.7 -30.63 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.438 HD12 HE22 ' B' ' 354' ' ' GLN . 0.2 OUTLIER -67.68 -36.47 80.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.444 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 11.8 mtpt -64.57 -31.87 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.85 -35.84 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -35.31 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.438 HE22 HD12 ' B' ' 350' ' ' LEU . 2.4 mp0 -75.94 -41.25 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.3 80.3 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.82 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 44.8 t -142.94 151.04 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.3 m-85 -142.2 143.95 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -90.85 134.5 12.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -105.22 105.74 15.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.89 2.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.528 HD13 ' HE2' ' C' ' 341' ' ' PHE . 23.7 mt -132.1 148.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -105.53 36.41 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.51 131.86 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -77.42 -36.56 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.56 -54.81 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 2.1 ttm105 -57.83 -47.45 82.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.76 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 74.9 t80 -62.45 -34.66 77.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 179.726 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -60.91 -38.71 86.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.432 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.4 ttp -64.67 -55.99 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.528 ' HE2' HD13 ' C' ' 332' ' ' ILE . 3.8 m-85 -60.94 -28.9 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.02 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -75.65 -42.79 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -31.59 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.778 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.5 OUTLIER -73.41 -33.4 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.712 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.6 -42.97 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.41 -31.39 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.89 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.626 HD13 ' HD3' ' D' ' 337' ' ' ARG . 6.0 mt -75.86 -31.41 59.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.34 -30.72 65.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.9 -41.26 71.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -63.95 -31.42 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.15 -32.78 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.69 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -91.08 -34.41 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.95 101.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.515 -179.971 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.363 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.52 102.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 26.1 m-85 -109.39 147.93 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -114.92 142.27 17.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.95 137.46 47.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -104.1 82.5 0.37 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.516 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -86.96 117.74 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -94.91 76.83 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.94 133.76 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -71.09 -35.55 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.39 -49.69 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.626 ' HD3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.15 -50.92 72.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 50.5 t80 -60.67 -32.19 71.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.33 -39.11 91.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -56.92 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.404 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 2.9 m-85 -62.41 -26.97 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.761 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -76.54 -43.17 40.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.565 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -71.72 -31.67 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.778 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -71.61 -35.0 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.679 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.93 -43.4 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.17 -31.17 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.562 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -74.21 -31.67 62.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.7 mm? -72.67 -38.37 67.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.3 -28.96 66.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.88 -43.78 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.757 ' HD3' HD13 ' D' ' 348' ' ' LEU . 10.3 ptmt -70.35 -30.8 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.55 -31.44 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.35 67.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.27 -36.08 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.65 124.89 32.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.509 179.987 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 21.4 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.871 0.367 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.43 151.11 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 15.4 m-85 -137.7 122.39 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -82.57 116.05 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.486 HD22 HG13 ' A' ' 332' ' ' ILE . 1.1 tt -106.37 122.43 46.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.486 HG13 HD22 ' A' ' 330' ' ' LEU . 4.5 mt -87.73 133.64 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -116.44 77.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.07 140.22 3.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -73.62 -64.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -59.95 -36.28 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.562 ' HG3' HD22 ' B' ' 348' ' ' LEU . 7.9 ttm180 -63.86 -56.48 15.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 19.2 t80 -60.13 -31.07 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.04 -36.55 84.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.454 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.03 -57.35 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.1 m-85 -63.02 -26.1 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -77.41 -41.91 38.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.45 -29.81 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.688 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.54 -34.12 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.681 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -71.33 -39.36 71.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 350' ' ' LEU . 4.9 tp10 -71.88 -38.0 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.5 -31.75 63.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.656 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.3 mt -73.88 -30.19 62.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.51 -30.55 68.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.799 179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 346' ' ' GLU . 1.4 mp -64.33 -39.87 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.779 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 19.5 mtpp -59.55 -36.1 75.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.26 -38.76 92.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.75 -31.19 61.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -81.93 -31.57 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -133.86 111.3 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.383 -1.231 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.819 0.343 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.1 p -75.29 109.73 9.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 26.0 m-85 -104.89 152.42 22.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -100.49 110.63 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.573 HD22 HG13 ' B' ' 332' ' ' ILE . 1.1 tt -101.16 128.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.26 95.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.573 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -99.21 126.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.0 31.96 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.564 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -140.7 129.27 4.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -68.05 -39.45 83.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -71.95 -48.15 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.656 ' CG ' HD13 ' A' ' 348' ' ' LEU . 12.2 mtm180 -59.13 -51.05 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -60.21 -33.18 71.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.82 -38.91 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.503 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.77 -56.52 13.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 4.5 m-85 -60.4 -28.46 68.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -72.61 -44.2 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.58 -31.07 66.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.423 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.699 ' CG ' HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -71.67 -36.41 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.583 179.656 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -68.34 -43.91 76.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.68 -37.55 67.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.21 -25.16 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 337' ' ' ARG . 15.8 tp -76.61 -35.01 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -72.13 -29.07 63.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.49 -31.75 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.539 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 32.8 mttm -64.83 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -41.53 97.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.1 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 137.19 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.538 179.994 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.435 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 28.5 mt-10 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.829 0.347 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.03 152.82 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.442 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 28.8 m-85 -142.1 136.9 30.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -110.96 144.01 17.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.521 HD23 HD11 ' C' ' 332' ' ' ILE . 6.4 tp -141.26 131.06 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . 0.439 ' C ' HD12 ' C' ' 332' ' ' ILE . . . -101.44 131.54 10.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.613 HD12 ' N ' ' C' ' 332' ' ' ILE . 3.0 mp -132.84 144.61 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -108.65 38.26 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.36 11.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -78.18 -46.92 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.05 -41.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.484 ' HG2' HG21 ' C' ' 332' ' ' ILE . 13.2 ttp180 -62.48 -55.43 27.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 38.8 t80 -63.82 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.355 179.612 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -32.91 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.313 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -68.35 -57.65 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 179.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.8 m-85 -63.96 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -76.86 -37.44 55.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.67 -30.77 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.699 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.0 OUTLIER -75.78 -32.54 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 179.74 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -73.87 -38.44 64.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.74 -31.74 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.539 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -78.4 -30.84 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.558 HD13 ' CD ' ' D' ' 337' ' ' ARG . 2.2 mt -77.88 -30.26 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.756 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.75 -28.15 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.82 -40.25 65.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.453 ' NZ ' HD23 ' C' ' 348' ' ' LEU . 1.4 ptpp? -65.66 -29.52 70.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.46 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.26 68.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.16 -35.16 79.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.55 121.3 44.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 40.6 t -131.56 152.89 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.0 m-85 -134.19 136.31 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -98.99 132.0 10.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.62 109.99 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -105.91 116.7 5.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.59 151.26 34.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.28 34.8 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.6 122.56 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.09 68.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.42 -48.83 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.558 ' CD ' HD13 ' C' ' 348' ' ' LEU . 7.6 ttm180 -59.54 -51.83 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 23.5 t80 -61.04 -31.61 71.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -63.36 -38.5 91.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttm -65.09 -55.72 17.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.362 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 5.1 m-85 -58.87 -28.01 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -74.27 -49.02 24.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.73 -30.45 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.357 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -69.88 -41.96 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.556 179.71 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.82 -40.52 95.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -72.54 -35.01 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.779 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -75.22 -32.05 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.434 HD13 ' HD3' ' C' ' 337' ' ' ARG . 12.7 mt -74.08 -30.71 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -30.79 67.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.97 -35.95 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -35.86 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -40.02 89.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.16 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.05 -38.26 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.61 -169.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 11.2 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.792 0.329 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 28.5 p -77.61 131.56 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 55.5 m-85 -126.68 136.18 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -77.72 146.45 31.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 332' ' ' ILE . 17.0 tp -131.81 141.0 49.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -135.52 82.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 330' ' ' LEU . 28.7 mm -92.51 134.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.71 31.13 3.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.527 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -134.14 125.21 3.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.25 87.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -49.76 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 7.6 ttm180 -59.1 -50.8 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 33.8 t80 -61.16 -32.51 72.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.542 179.7 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.7 -39.33 93.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.31 -54.67 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -58.91 -27.57 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HA ' HD11 ' B' ' 330' ' ' LEU . 0.0 OUTLIER -70.22 -45.2 67.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 179.781 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.79 -31.52 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.839 HD21 HD21 ' D' ' 344' ' ' LEU . 0.5 OUTLIER -72.15 -31.97 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.648 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.48 -44.12 68.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.12 -31.04 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.541 ' HB2' ' HE2' ' D' ' 351' ' ' LYS . . . -75.12 -32.18 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.6 mm? -73.01 -35.51 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.45 -30.82 69.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.89 -41.98 81.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -60.21 -31.63 70.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -31.67 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.51 -39.22 62.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -75.86 -31.92 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.28 86.49 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.483 -179.959 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 m -130.41 152.87 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 5.3 m-85 -137.04 139.31 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -107.09 134.72 12.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.597 HD23 ' N ' ' B' ' 331' ' ' GLY . 1.4 tt -130.53 139.07 50.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . 0.597 ' N ' HD23 ' B' ' 330' ' ' LEU . . . -105.39 90.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.557 HG13 HD22 ' B' ' 330' ' ' LEU . 3.9 mp -89.14 125.75 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -98.03 75.84 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.94 129.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -32.75 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.13 -54.34 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.6 ttm180 -58.29 -46.97 85.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.26 -32.35 73.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.506 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttm -65.42 -54.99 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.459 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.6 m-85 -60.46 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -74.6 -46.09 40.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -70.88 -31.81 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.853 ' CD1' HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -72.62 -31.22 64.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.656 179.703 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.475 ' CG ' HD12 ' A' ' 332' ' ' ILE . 29.7 t30 -70.67 -43.33 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -70.35 -35.74 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.67 -30.54 64.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.956 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.803 HD23 HD23 ' B' ' 344' ' ' LEU . 1.0 OUTLIER -72.24 -36.37 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.896 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.06 -30.22 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.59 -45.0 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.788 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -69.09 -30.58 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -73.35 -31.28 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.39 -31.15 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -78.75 -38.57 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.46 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.474 -179.994 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.823 0.344 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.8 111.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -132.34 129.3 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -86.25 122.3 6.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.629 HD22 HG13 ' C' ' 332' ' ' ILE . 1.2 tt -102.74 111.91 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -76.35 82.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.629 HG13 HD22 ' C' ' 330' ' ' LEU . 4.6 mt -89.97 136.1 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.325 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -123.54 31.28 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.581 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -143.82 144.95 14.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -77.01 -47.18 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -65.64 -41.91 92.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.17 -53.65 54.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.779 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.484 ' CE2' HD12 ' D' ' 330' ' ' LEU . 18.9 t80 -59.59 -31.81 69.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.02 -38.82 92.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.503 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttm -65.04 -55.63 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 4.5 m-85 -60.56 -28.07 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.693 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.49 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.557 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -37.26 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.853 HD21 ' CD1' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -70.91 -37.14 72.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.469 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.432 HD22 HD21 ' D' ' 330' ' ' LEU . 35.6 t-20 -64.72 -35.75 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.51 -50.89 63.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.536 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.35 -29.12 70.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.68 HD13 ' CG ' ' D' ' 337' ' ' ARG . 2.9 tp -66.13 -39.99 90.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.07 -30.51 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -31.46 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.17 -32.0 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.47 -31.79 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.37 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.63 -170.0 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.537 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.5 m -151.67 111.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -98.82 152.65 19.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -129.05 136.87 9.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.655 HD22 HG13 ' D' ' 332' ' ' ILE . 1.1 tt -126.85 123.93 38.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.15 87.55 0.84 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.655 HG13 HD22 ' D' ' 330' ' ' LEU . 3.8 mp -81.15 131.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.31 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.439 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -137.16 138.6 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -76.43 -52.02 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -44.66 89.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.692 HH12 HD23 ' C' ' 344' ' ' LEU . 0.0 OUTLIER -58.44 -50.79 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.445 ' CE1' ' HG3' ' D' ' 342' ' ' ARG . 77.7 t80 -56.97 -37.26 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.09 -42.29 90.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.352 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mtm -64.61 -58.24 6.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.021 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HD3' ' D' ' 337' ' ' ARG . 6.2 m-85 -58.86 -22.65 59.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.468 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 0.0 OUTLIER -74.56 -47.4 32.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.435 179.539 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.86 -31.46 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.66 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -46.22 67.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.699 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.482 ' O ' HD23 ' D' ' 350' ' ' LEU . 12.9 pt-20 -70.46 -31.79 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.07 60.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.765 HD13 ' HD2' ' D' ' 351' ' ' LYS . 1.2 mm? -72.86 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.24 -30.87 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.482 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.4 mm? -71.03 -48.74 51.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' D' ' 348' ' ' LEU . 19.3 ptpt -66.81 -29.65 69.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -72.78 -31.47 64.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.91 63.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -76.66 -42.63 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.05 -169.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.524 179.986 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 12.5 m -137.49 152.8 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -147.63 135.37 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -103.03 120.45 6.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 332' ' ' ILE . 0.7 OUTLIER -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . . . . . . . . . . . -114.78 101.44 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.91 HD11 HD22 ' A' ' 330' ' ' LEU . 3.9 mp -102.85 146.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.91 77.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.73 3.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -76.96 -33.65 57.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -47.26 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.609 ' HG2' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -60.11 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 179.864 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.798 ' CE1' HD23 ' B' ' 330' ' ' LEU . 91.3 t80 -60.88 -31.63 71.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -37.17 86.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttm -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.278 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 -23.81 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 338' ' ' PHE . 0.0 OUTLIER -71.39 -41.71 69.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.542 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.29 -31.84 62.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.726 HD11 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.87 -32.02 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.573 179.71 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -71.74 -39.89 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.599 ' O ' HD23 ' A' ' 350' ' ' LEU . 20.5 mt-10 -71.42 -36.54 71.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.1 -33.26 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.89 -31.87 66.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.57 -31.35 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -66.6 -46.07 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -31.16 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.06 -39.02 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.92 -31.78 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -127.14 124.97 40.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.528 -179.988 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.821 0.344 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 3.6 m 60.99 112.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -121.94 136.46 54.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.28 149.57 16.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.798 HD23 ' CE1' ' A' ' 338' ' ' PHE . 1.7 pp -143.57 150.01 38.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.72 114.98 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.728 HD11 HD13 ' B' ' 330' ' ' LEU . 26.8 mm -112.86 123.14 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -98.83 33.06 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.524 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -145.3 138.51 7.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -76.81 -35.57 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.61 -47.54 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 2.2 ttm105 -59.76 -51.38 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.778 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 330' ' ' LEU . 15.8 t80 -62.25 -33.85 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.42 -36.12 82.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -56.52 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.1 m-85 -59.71 -25.72 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -76.34 -48.17 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.457 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.64 -31.76 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.928 HD11 HD21 ' C' ' 344' ' ' LEU . 2.7 mm? -71.62 -45.65 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.373 179.478 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.803 ' OD1' HG23 ' A' ' 332' ' ' ILE . 20.4 t30 -62.34 -35.03 77.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -42.37 61.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.06 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.609 HD13 ' HG2' ' A' ' 337' ' ' ARG . 3.0 mt -75.03 -30.57 61.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.7 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.33 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.763 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 1.4 mptp? -60.1 -33.89 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.87 -43.86 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -82.41 -40.01 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.51 -174.9 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.432 -1.205 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.824 0.345 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 1.8 t 60.25 109.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 18.5 m-85 -133.76 151.84 51.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.93 139.37 14.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.604 ' CD2' HD11 ' C' ' 332' ' ' ILE . 24.1 tp -133.13 118.7 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -103.27 120.05 6.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.604 HD11 ' CD2' ' C' ' 330' ' ' LEU . 4.3 mt -127.28 126.9 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.044 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -75.7 -31.17 59.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.1 130.91 22.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -76.12 -44.6 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.55 -51.84 63.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.824 ' HG2' HD22 ' D' ' 348' ' ' LEU . 1.6 tpp180 -58.53 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.507 ' HD1' HD12 ' C' ' 332' ' ' ILE . 52.5 t80 -62.27 -33.18 74.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.62 -36.55 83.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.347 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.567 ' O ' HD12 ' C' ' 344' ' ' LEU . 8.2 ttm -65.45 -58.13 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.475 ' HD2' HD13 ' C' ' 332' ' ' ILE . 6.2 m-85 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -71.5 -42.09 68.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.98 -32.32 73.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.928 HD21 HD11 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -67.66 -43.43 80.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.649 179.719 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.86 -47.37 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.763 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -63.99 -26.45 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.737 HD22 ' CD ' ' D' ' 337' ' ' ARG . 24.1 tp -69.38 -43.8 72.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.2 -24.31 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.83 -38.86 57.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.22 -29.17 65.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.53 -39.84 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.23 -31.18 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.47 51.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.28 88.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.531 179.994 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 1.2 m 62.2 117.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' C' ' 338' ' ' PHE . 3.8 m-85 -129.08 142.46 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -89.41 133.8 12.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.682 HD23 HD11 ' D' ' 332' ' ' ILE . 11.8 tp -118.12 129.81 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -108.49 82.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.682 HD11 HD23 ' D' ' 330' ' ' LEU . 3.6 mp -94.58 129.66 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.41 32.2 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.539 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.18 126.68 3.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.24 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.34 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.737 ' CD ' HD22 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -57.45 -37.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 42.4 t80 -66.58 -40.09 88.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -59.94 -34.99 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -56.39 11.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.429 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.652 ' HE2' HD22 ' C' ' 344' ' ' LEU . 3.1 m-85 -61.51 -31.04 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -76.36 -43.09 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.5 -30.95 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.726 HD11 HD11 ' A' ' 344' ' ' LEU . 1.4 tt -70.51 -38.84 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.51 179.689 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -64.09 -43.85 94.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.45 73.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.8 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.824 HD22 ' HG2' ' C' ' 337' ' ' ARG . 4.1 tp -68.1 -36.88 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.676 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -31.1 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -37.86 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.72 -31.35 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.31 -31.55 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.37 -31.13 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.12 -38.87 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.48 113.37 24.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.53 179.969 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 327' ' ' SER . . . . . . . . . . . . . 8.7 t -153.43 150.33 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -135.88 133.2 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -101.38 133.03 11.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.989 HD22 HD11 ' A' ' 332' ' ' ILE . 1.0 OUTLIER -133.82 140.18 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 331' ' ' GLY . . . . . 0.434 ' N ' HD23 ' A' ' 330' ' ' LEU . . . -126.83 126.95 5.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.989 HD11 HD22 ' A' ' 330' ' ' LEU . 3.8 mp -131.83 132.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.25 -30.94 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -71.04 119.95 8.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -36.49 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.91 -48.19 72.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.63 ' HD2' HD11 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.08 -49.56 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.779 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' B' ' 330' ' ' LEU . 15.6 t80 -58.67 -35.69 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.75 -41.88 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.303 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.483 ' HE3' ' HG2' ' C' ' 340' ' ' MET . 2.8 mmm -64.8 -58.91 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.07 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.507 ' HE1' HD22 ' B' ' 344' ' ' LEU . 6.3 m-85 -60.36 -25.09 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.525 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -78.12 -46.17 21.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.342 . . . . 0.0 110.451 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.07 -30.33 68.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.409 179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.471 HD11 HD21 ' D' ' 344' ' ' LEU . 3.7 mp -70.62 -40.78 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.507 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.626 ' ND2' HD12 ' B' ' 332' ' ' ILE . 18.8 t-20 -62.98 -41.35 99.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.19 -41.23 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.81 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.452 HD13 ' HB3' ' B' ' 337' ' ' ARG . 23.8 mt -71.35 -33.59 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.8 -30.64 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -70.5 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -63.6 -32.68 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -33.4 75.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.11 -30.48 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -73.24 -35.82 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.06 79.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.35 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 327' ' ' SER . . . . . . . . . . . . . 1.3 t 61.26 113.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.1 m-85 -126.81 150.94 48.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 329' ' ' GLY . . . . . . . . . . . . . . . -104.53 149.84 17.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 338' ' ' PHE . 0.5 OUTLIER -140.26 133.44 29.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -102.04 82.34 0.44 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.626 HD12 ' ND2' ' A' ' 345' ' ' ASN . 25.0 mm -83.09 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -105.16 30.91 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.586 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -136.58 133.43 6.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.78 52.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.05 -56.85 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HB3' HD13 ' A' ' 348' ' ' LEU . 16.1 ptp180 -58.38 -42.51 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.798 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.546 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 24.9 t80 -65.18 -35.56 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.671 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -62.44 -37.2 84.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.409 ' O ' HD13 ' B' ' 344' ' ' LEU . 0.0 OUTLIER -65.43 -54.18 32.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.482 179.645 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.72 -28.82 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -47.36 61.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.73 -40.34 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.835 ' O ' HD12 ' B' ' 348' ' ' LEU . 5.8 mp -63.35 -40.84 98.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.76 -45.86 90.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.62 -30.82 70.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.55 -46.44 85.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.018 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.835 HD12 ' O ' ' B' ' 344' ' ' LEU . 3.3 mp -60.82 -43.56 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.747 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.0 -31.03 69.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.71 -31.86 59.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -72.29 -31.36 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.83 -31.45 70.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.91 -31.23 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.9 -44.54 16.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.52 -179.66 7.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.512 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 2.1 m -162.89 152.35 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -144.61 125.98 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.21 143.77 15.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 1.106 HD23 HD11 ' C' ' 332' ' ' ILE . 12.9 tp -133.75 132.88 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -93.84 82.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 1.106 HD11 HD23 ' C' ' 330' ' ' LEU . 24.4 mm -76.07 124.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.59 118.95 0.94 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -60.01 -39.87 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.78 -47.54 45.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -59.78 -50.92 71.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 16.1 t80 -60.96 -33.07 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.16 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.543 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.483 ' HG2' ' HE3' ' A' ' 340' ' ' MET . 2.3 mpp? -65.28 -54.17 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.17 -27.73 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -73.94 -46.56 43.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.694 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.32 -31.63 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.624 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.715 ' O ' HD12 ' C' ' 348' ' ' LEU . 41.7 mt -73.24 -30.83 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.654 HD21 HG23 ' D' ' 332' ' ' ILE . 2.6 m120 -71.37 -41.77 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.554 ' O ' HD12 ' C' ' 350' ' ' LEU . 12.5 tt0 -70.27 -39.35 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.41 -30.94 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.715 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.7 OUTLIER -73.43 -30.3 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.867 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.28 -29.71 67.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.554 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.9 mp -68.57 -47.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' C' ' 348' ' ' LEU . 5.0 ptpp? -61.46 -29.95 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.87 -40.28 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.03 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -73.08 -31.58 64.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.12 35.38 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.466 -179.942 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 327' ' ' SER . . . . . . . . . . . . . 98.3 p -102.35 149.06 24.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 27.4 m-85 -143.54 137.06 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 329' ' ' GLY . . . . . . . . . . . . . . . -87.16 114.59 4.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.946 HD22 HD11 ' D' ' 332' ' ' ILE . 1.0 OUTLIER -98.42 134.48 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 331' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.946 HD11 HD22 ' D' ' 330' ' ' LEU . 3.8 mp -122.8 116.08 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -98.98 31.27 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.511 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -128.05 121.34 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.71 -43.81 97.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -46.94 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.57 ' CG ' HD13 ' C' ' 348' ' ' LEU . 6.1 ttm180 -59.85 -52.44 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.771 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.773 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 16.9 t80 -60.68 -31.76 71.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.09 -37.58 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 mtm -66.26 -56.87 9.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.374 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 4.1 m-85 -61.45 -26.12 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -73.48 -42.33 62.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -73.16 -31.4 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.798 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.6 OUTLIER -73.79 -31.32 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 179.764 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -71.86 -42.1 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -72.22 -31.54 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.17 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -74.66 -34.05 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.76 -30.68 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.2 -38.42 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -62.39 -31.21 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.83 -35.0 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.19 62.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -37.56 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.2 78.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.501 179.96 . . . . . . . . 0 0 . 1 stop_ save_