data_2n3x_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 2n3x _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 320' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 CA--C 1.531 0.361 0 N-CA-C 113.81 0.658 . . . . 5.67 113.81 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -80.8 -36.88 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.086 0.469 . . . . 3.83 110.039 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.42 -38.0 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 5.42 110.234 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.8 mtp -59.48 -36.51 76.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 4.09 110.739 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.58 66.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.784 -0.644 . . . . 2.96 110.813 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.78 -33.34 74.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.359 0.599 . . . . 2.26 110.177 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -72.24 -35.36 68.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.97 109.535 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -61.51 -48.72 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 2.56 110.348 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.87 -36.83 70.53 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 115.215 -0.902 . . . . 1.18 110.141 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.8 31.95 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.607 -1.178 . . . . 1.22 109.877 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 0.9 OUTLIER -71.3 -8.25 52.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.61 -1.632 . . . . 2.16 111.065 176.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.523 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 52.2 tt0 -52.24 -29.18 21.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.831 -0.622 . . . . 2.78 111.75 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.2 p -54.07 -52.04 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.16 0.505 . . . . 1.87 111.332 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 337' ' ' MET . 49.9 m -88.37 -46.38 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.841 -0.618 . . . . 1.76 111.318 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -87.0 -47.45 8.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.741 0.305 . . . . 3.93 111.653 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . 0.523 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -63.16 -44.35 97.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.92 112.742 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.55 -23.7 60.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.984 -0.287 . . . . 2.81 110.541 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 333' ' ' SER . 27.3 ttt -59.02 -48.15 82.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 3.57 110.108 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.16 97.85 Favored Glycine 0 C--O 1.225 -0.434 0 C-N-CA 120.863 -0.684 . . . . 0.83 111.939 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.14 -41.92 97.61 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.604 . . . . 2.98 110.211 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 5.8 tt -67.78 -46.07 73.07 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.062 -0.972 . . . . 2.33 109.714 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.3 65.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 1.53 112.113 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 77.2 p -70.34 -25.9 63.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.89 0.33 . . . . 2.04 111.89 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 340' ' ' LEU . 3.6 pt20 -75.5 -16.3 60.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.253 0.549 . . . . 3.13 110.055 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-N 114.723 -1.126 . . . . 3.75 110.869 -179.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 121.048 0.353 . . . . 5.67 112.378 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.22 -33.78 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.48 -0.782 . . . . 3.83 111.462 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.5 tpt -59.47 -44.89 92.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 5.42 110.649 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.51 -35.91 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 4.09 110.7 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.28 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.535 . . . . 2.96 110.451 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.57 90.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 2.26 110.314 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . 0.594 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -60.23 -44.69 95.0 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.798 -0.637 . . . . 1.97 110.605 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 331' ' ' GLN . 6.2 tp60 -56.86 -50.77 71.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.101 0.477 . . . . 2.56 111.069 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.24 99.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 115.246 -0.888 . . . . 1.18 110.319 -177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.1 -49.75 10.48 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-N 114.561 -1.199 . . . . 1.22 110.994 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.1 mm? -71.08 -8.9 56.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.837 -1.074 . . . . 2.16 111.041 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 327' ' ' GLN . 20.4 tt0 -52.23 -29.0 20.67 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.299 -0.41 . . . . 2.78 111.606 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 30.3 t -61.93 -48.22 81.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 1.87 110.922 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 8.6 p -91.39 -45.85 8.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 1.76 111.58 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -86.36 -44.4 12.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.462 -0.336 . . . . 3.93 111.266 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.59 -34.41 88.95 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.764 -0.732 . . . . 0.92 112.775 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' MET . . . . . 0.649 ' HG3' ' HG ' ' A' ' 340' ' ' LEU . 14.2 tpt -68.83 -22.56 64.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.807 -0.231 . . . . 2.81 111.097 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.8 mmt -53.58 -45.72 70.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.804 0.335 . . . . 3.57 111.012 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.53 -38.04 93.08 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.897 -0.668 . . . . 0.83 112.079 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.12 -42.62 96.78 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.2 0.524 . . . . 2.98 109.786 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.649 ' HG ' ' HG3' ' A' ' 336' ' ' MET . 90.1 mt -66.13 -46.4 77.66 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.365 -0.834 . . . . 2.33 110.387 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.72 73.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.42 -0.809 . . . . 1.53 111.766 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.7 p -71.84 -32.96 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.47 . . . . 2.04 110.942 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.27 -37.9 74.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.748 -0.66 . . . . 3.13 111.234 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 115.32 -0.854 . . . . 3.75 112.555 174.574 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . 0.644 ' O ' ' HG3' ' A' ' 323' ' ' MET . 22.0 Cg_exo . . . . . 0 CA--C 1.528 0.21 0 N-CA-C 113.375 0.49 . . . . 5.67 113.375 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.11 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.543 0.211 . . . . 3.83 110.785 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' MET . . . . . 0.409 ' HE3' ' HB3' ' A' ' 322' ' ' MET . 41.7 ttp -64.78 -47.65 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.488 -0.324 . . . . 5.42 110.64 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 320' ' ' PRO . 0.0 OUTLIER -66.8 -34.32 77.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.379 . . . . 4.09 109.984 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.69 91.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 2.96 110.777 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.59 75.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.533 . . . . 2.26 110.254 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.72 -34.01 74.92 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.484 -0.78 . . . . 1.97 110.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.72 -48.55 63.53 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.685 0.615 . . . . 2.56 112.088 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.99 65.56 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.913 0.863 . . . . 1.18 109.93 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.45 -34.22 31.58 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 114.25 -1.341 . . . . 1.22 109.717 -175.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.89 -6.92 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.968 -1.469 . . . . 2.16 110.443 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.756 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 34.5 tt0 -48.21 -27.95 2.73 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.651 -0.704 . . . . 2.78 111.984 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.3 p -52.46 -47.78 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 1.87 110.843 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 14.8 m -91.02 -46.52 8.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.955 -0.566 . . . . 1.76 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -86.57 -49.95 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.222 -0.444 . . . . 3.93 111.797 -170.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . 0.756 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -67.43 -27.84 73.58 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.137 -0.554 . . . . 0.92 112.549 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 42.2 ttp -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.457 0.303 . . . . 2.81 111.526 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 59.4 ttp -51.48 -50.2 60.32 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.833 0.349 . . . . 3.57 110.812 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -70.92 -35.52 65.29 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.811 -0.709 . . . . 0.83 112.19 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 69.2 mtp -62.75 -42.53 99.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.393 0.615 . . . . 2.98 109.794 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 60.4 tp -72.45 -39.64 67.66 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.022 -0.99 . . . . 2.33 110.045 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.71 -34.71 74.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.745 -0.661 . . . . 1.53 111.105 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 49.5 m -70.45 -42.71 71.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 2.04 110.38 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 6.3 tp-100 -71.65 -17.84 62.23 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.484 0.659 . . . . 3.13 109.812 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 343' ' ' GLN . 79.7 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-N 114.246 -1.343 . . . . 3.75 111.185 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo . . . . . 0 CA--C 1.53 0.306 0 N-CA-C 112.731 0.243 . . . . 5.67 112.731 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.13 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.959 0.409 . . . . 3.83 110.686 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 23.9 mmt -67.21 -37.82 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 5.42 110.395 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.1 mtt -65.81 -36.63 84.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.374 -0.375 . . . . 4.09 110.459 176.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.8 74.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 2.96 110.787 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.07 83.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.061 -0.518 . . . . 2.26 110.142 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -65.1 -48.72 72.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.735 -0.666 . . . . 1.97 109.626 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -50.36 70.38 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.201 0.524 . . . . 2.56 111.274 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.21 89.54 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.117 -0.947 . . . . 1.18 110.474 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.45 19.59 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 114.861 -1.063 . . . . 1.22 111.167 -171.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.624 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 15.0 mt -70.94 -6.95 42.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.011 -0.995 . . . . 2.16 111.399 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -50.19 -29.89 10.29 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.049 0.54 . . . . 2.78 112.275 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.7 m -61.57 -48.63 80.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 1.87 111.504 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 46.9 t -93.1 -46.53 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.857 0.361 . . . . 1.76 111.225 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -86.73 -37.17 18.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.37 . . . . 3.93 110.891 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -70.12 -28.93 70.95 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.92 112.021 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 ttm -67.67 -23.37 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.073 -0.075 . . . . 2.81 110.805 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.1 ttt -52.78 -49.11 66.23 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.643 0.258 . . . . 3.57 110.917 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.37 79.9 Favored Glycine 0 C--O 1.224 -0.487 0 C-N-CA 120.982 -0.628 . . . . 0.83 112.495 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.6 mmt -68.88 -42.83 76.45 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.338 0.589 . . . . 2.98 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.72 -46.85 70.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.09 -0.959 . . . . 2.33 109.85 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.46 74.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.369 -0.832 . . . . 1.53 110.906 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 25.5 t -67.53 -47.68 69.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.137 -0.69 . . . . 2.04 109.137 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -67.43 -31.83 72.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.409 . . . . 3.13 110.238 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 3.75 111.447 -178.647 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . 0.517 ' O ' ' HG2' ' A' ' 323' ' ' MET . 38.2 Cg_endo . . . . . 0 N--CA 1.464 -0.243 0 CA-C-O 121.3 0.458 . . . . 5.67 112.988 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.13 -22.39 28.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.922 -1.035 . . . . 3.83 110.933 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.9 mtt -53.05 -33.75 53.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.538 -0.756 . . . . 5.42 111.749 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 26.1 ptt? -66.52 -35.59 80.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.117 0.484 . . . . 4.09 110.484 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.27 42.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.868 -0.606 . . . . 2.96 110.259 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 2.26 109.839 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.83 -46.75 64.94 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.477 -0.783 . . . . 1.97 109.403 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.02 -48.81 67.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 123.79 0.681 . . . . 2.56 111.473 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.66 62.69 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 115.194 -0.912 . . . . 1.18 110.202 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.8 30.02 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 114.422 -1.263 . . . . 1.22 110.149 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.22 -6.11 12.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.69 -1.595 . . . . 2.16 110.608 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -46.93 -28.55 1.65 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.529 0.732 . . . . 2.78 112.769 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.0 t -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.096 0.474 . . . . 1.87 110.519 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 34.4 t -92.18 -47.61 7.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 1.76 111.266 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -88.4 -50.37 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.945 0.35 . . . . 3.93 111.945 -173.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -64.48 -40.71 97.92 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.751 -0.738 . . . . 0.92 112.591 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 43.6 ttm -61.07 -27.17 68.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.164 0.186 . . . . 2.81 111.396 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.8 ttp -54.97 -43.94 73.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.191 0.52 . . . . 3.57 109.857 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.03 -46.88 6.84 Favored Glycine 0 C--O 1.222 -0.635 0 CA-C-N 115.566 -0.743 . . . . 0.83 112.339 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 56.7 mtt -60.41 -43.95 96.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.101 0.477 . . . . 2.98 111.222 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.36 -36.68 66.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.422 0.629 . . . . 2.33 109.783 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.96 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.169 -0.923 . . . . 1.53 111.157 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.4 m -69.57 -34.96 74.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 2.04 111.206 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -75.18 -15.74 60.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.968 0.413 . . . . 3.13 110.799 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-N 115.327 -0.852 . . . . 3.75 110.791 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . 0.482 ' HB2' ' HB2' ' A' ' 323' ' ' MET . 96.3 Cg_endo . . . . . 0 N--CA 1.458 -0.582 0 N-CA-C 112.736 0.245 . . . . 5.67 112.736 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.265 -0.425 . . . . 3.83 111.02 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.0 ptm -75.37 -35.34 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 5.42 110.717 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.612 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 24.0 mmt -66.88 -37.01 83.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.03 0.443 . . . . 4.09 110.558 -178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.87 84.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.619 . . . . 2.96 110.368 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.09 77.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 2.26 109.994 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -63.89 -48.6 75.98 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.738 -0.664 . . . . 1.97 109.52 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 323' ' ' MET . 11.9 mm100 -57.01 -48.92 77.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.995 0.426 . . . . 2.56 111.052 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.36 95.29 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.438 -0.801 . . . . 1.18 110.842 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.28 26.2 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.938 -1.028 . . . . 1.22 110.758 -172.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.4 tp -71.63 -10.31 59.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.612 -1.176 . . . . 2.16 110.309 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -52.04 -28.91 18.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.562 -0.744 . . . . 2.78 112.102 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 p -59.48 -48.04 83.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.053 0.454 . . . . 1.87 111.164 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' ' 337' ' ' MET . 30.6 t -88.67 -46.12 9.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.028 -0.533 . . . . 1.76 110.901 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -86.03 -29.75 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.049 -0.523 . . . . 3.93 111.454 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -63.66 -43.88 97.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.765 -0.731 . . . . 0.92 112.418 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.16 -28.02 66.93 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.933 -0.307 . . . . 2.81 111.03 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 333' ' ' SER . 24.7 mmt -57.69 -47.79 81.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 3.57 110.067 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.31 76.07 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-N 115.725 -0.671 . . . . 0.83 112.048 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 62.0 mtt -60.49 -43.02 97.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 117.703 0.751 . . . . 2.98 110.514 -178.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.9 -46.7 80.61 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.379 -0.828 . . . . 2.33 109.94 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.76 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.113 -0.949 . . . . 1.53 111.935 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 58.1 p -70.75 -34.76 72.19 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.725 0.298 . . . . 2.04 111.379 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -73.17 -15.04 61.47 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.179 -0.464 . . . . 3.13 111.259 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 N--CA 1.462 0.137 0 CA-C-N 115.438 -0.801 . . . . 3.75 110.821 -177.652 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo . . . . . 0 C--O 1.234 0.321 0 CA-C-O 120.712 0.213 . . . . 5.67 112.638 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.51 70.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.409 -0.36 . . . . 3.83 111.128 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.3 tpt -67.2 -39.74 86.37 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.102 0.477 . . . . 5.42 110.421 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 2.0 tmt? -66.9 -37.97 85.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 4.09 109.963 177.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.59 81.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 2.96 110.563 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.84 72.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 2.26 110.264 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.67 -35.8 73.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 1.97 109.87 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 323' ' ' MET . 15.9 mm100 -58.36 -38.3 76.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.194 0.309 . . . . 2.56 111.45 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.31 -45.07 68.83 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.978 0.894 . . . . 1.18 110.281 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.24 24.67 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.346 -1.297 . . . . 1.22 109.944 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.66 -8.15 49.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 113.738 -1.573 . . . . 2.16 111.292 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.79 -30.44 14.2 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.378 0.51 . . . . 2.78 112.378 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.0 t -74.99 -44.92 45.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.948 0.404 . . . . 1.87 110.406 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.9 m -83.63 -46.94 11.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 1.76 111.25 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -88.81 -39.17 14.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.758 0.313 . . . . 3.93 110.676 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.88 74.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.159 -0.543 . . . . 0.92 113.288 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.42 -22.69 62.7 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.659 -0.318 . . . . 2.81 110.852 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.4 ttp -54.91 -46.74 74.89 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.706 0.288 . . . . 3.57 110.675 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.45 94.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.9 -0.667 . . . . 0.83 111.973 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.334 0.588 . . . . 2.98 110.159 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.37 -46.94 68.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.806 -1.088 . . . . 2.33 110.514 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.57 71.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.527 -0.76 . . . . 1.53 111.545 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 46.8 t -68.71 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 2.04 111.026 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.69 -15.09 60.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 3.13 111.124 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 115.565 -0.743 . . . . 3.75 110.632 -178.473 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.649 0.187 . . . . 5.67 112.063 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.93 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 3.83 111.356 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.29 -41.36 81.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 5.42 110.804 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.1 -35.85 80.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 4.09 110.621 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.77 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 2.96 110.711 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.88 85.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.125 0.488 . . . . 2.26 109.985 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -66.06 -48.4 71.14 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.313 -0.858 . . . . 1.97 110.015 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 327' ' ' GLN . 5.1 tp60 -56.29 -45.96 79.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 2.56 111.375 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.88 88.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.776 -0.647 . . . . 1.18 110.878 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.4 -49.11 11.91 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.221 -0.899 . . . . 1.22 110.721 -170.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 25.2 mt -67.48 -6.7 20.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.452 -1.249 . . . . 2.16 111.052 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -51.5 -27.84 11.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.045 0.45 . . . . 2.78 111.221 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.4 t -61.47 -46.61 89.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.87 110.564 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.8 m -86.01 -43.48 13.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 1.76 111.263 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -85.35 -41.01 15.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 3.93 110.725 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.04 -28.01 72.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.243 -0.503 . . . . 0.92 112.668 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.7 tpp -60.09 -23.72 64.03 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 120.241 0.067 . . . . 2.81 111.16 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.44 -40.85 88.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 3.57 110.291 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.17 -34.68 29.06 Favored Glycine 0 CA--C 1.505 -0.565 0 C-N-CA 121.026 -0.606 . . . . 0.83 112.084 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 71.8 mtp -63.66 -43.46 96.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.263 0.554 . . . . 2.98 109.804 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.11 -46.26 74.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.976 -1.011 . . . . 2.33 109.334 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.18 79.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.418 -0.81 . . . . 1.53 111.448 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 67.8 m -70.56 -45.23 65.83 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 2.04 110.556 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.42 -34.21 77.45 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.878 -0.601 . . . . 3.13 110.588 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.484 0.659 . . . . 3.75 110.599 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 CA-C-O 121.163 0.401 . . . . 5.67 112.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.792 -0.64 . . . . 3.83 110.986 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.4 ttt -60.02 -43.02 95.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.917 -0.583 . . . . 5.42 110.986 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -64.07 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.09 110.238 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.24 79.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.763 -0.653 . . . . 2.96 110.661 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.02 76.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 2.26 110.509 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -68.48 -36.22 78.64 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.695 -0.684 . . . . 1.97 110.194 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.39 -50.24 70.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.238 0.542 . . . . 2.56 111.547 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.56 84.27 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.344 -0.844 . . . . 1.18 110.295 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.97 -34.3 33.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.366 -1.288 . . . . 1.22 110.295 -170.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.1 tp -69.16 -4.61 18.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.011 -1.449 . . . . 2.16 110.807 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -42.88 -29.88 0.36 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.483 0.92 . . . . 2.78 113.483 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 p -60.72 -47.84 84.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.061 0.458 . . . . 1.87 111.186 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 9.6 p -96.0 -45.16 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.177 -0.465 . . . . 1.76 111.424 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.016 0.436 . . . . 3.93 110.942 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -68.95 -28.92 72.6 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.641 -0.79 . . . . 0.92 112.42 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 tpp -66.84 -23.76 66.07 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.796 -0.238 . . . . 2.81 111.012 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 52.5 ttp -56.52 -46.23 80.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 3.57 110.233 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -69.93 -39.76 74.68 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.826 -0.702 . . . . 0.83 111.851 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.553 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 21.0 mmt -60.76 -42.91 98.39 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.123 0.487 . . . . 2.98 109.942 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.74 -46.04 80.35 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.082 -0.963 . . . . 2.33 110.541 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.86 74.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.443 -0.799 . . . . 1.53 111.169 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 68.7 m -68.72 -24.55 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 2.04 110.629 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 339' ' ' MET . 52.5 mt-30 -75.65 -13.95 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 3.13 111.174 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 CA--C 1.52 -0.192 0 CA-C-N 115.294 -0.866 . . . . 3.75 110.16 -172.675 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 N--CA 1.472 0.239 0 N-CA-C 112.754 0.251 . . . . 5.67 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.37 90.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.929 0.395 . . . . 3.83 110.235 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 38.9 tpp -65.47 -42.94 91.73 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.759 -0.655 . . . . 5.42 110.21 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.69 -38.9 82.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.036 0.446 . . . . 4.09 111.034 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.93 58.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 2.96 110.727 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.7 76.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.868 -0.605 . . . . 2.26 110.353 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . 0.648 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -67.7 -48.34 66.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.001 -0.545 . . . . 1.97 109.943 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -55.83 -51.12 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.239 0.542 . . . . 2.56 110.691 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.53 95.44 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 114.845 -1.071 . . . . 1.18 110.456 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.44 -34.81 31.26 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.938 -1.028 . . . . 1.22 110.312 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.648 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.9 mt -69.01 -6.12 25.97 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.66 -1.609 . . . . 2.16 111.202 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -52.33 -25.51 9.81 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.206 0.316 . . . . 2.78 111.592 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.6 p -60.22 -45.63 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 1.87 110.79 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 -46.33 11.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.662 -0.699 . . . . 1.76 110.858 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -87.4 -49.8 6.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 3.93 111.697 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -64.02 -43.64 97.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.673 -0.775 . . . . 0.92 112.462 -175.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.1 tpp -68.77 -24.22 64.4 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 121.247 -0.181 . . . . 2.81 110.653 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 48.4 ttm -58.13 -44.28 87.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 3.57 109.781 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -75.56 -38.13 38.67 Favored Glycine 0 C--O 1.22 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.83 112.116 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 61.2 mtt -61.39 -42.24 98.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 117.505 0.653 . . . . 2.98 110.21 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.42 -45.67 79.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.585 -0.734 . . . . 2.33 110.07 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.04 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.54 -0.755 . . . . 1.53 110.828 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.1 t -70.44 -30.57 67.45 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.238 -0.437 . . . . 2.04 110.072 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.05 -21.4 60.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.787 -0.642 . . . . 3.13 110.058 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 115.666 -0.697 . . . . 3.75 110.689 176.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.718 -0.475 . . . . 19.79 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 72.93 136.32 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.718 0.636 . . . . 17.27 110.71 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -81.58 163.61 22.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.6 -0.727 . . . . 18.33 111.506 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -82.65 81.15 1.74 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.651 -0.704 . . . . 14.49 111.79 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.86 -62.81 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 12.87 111.448 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -108.68 -15.33 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.345 0.593 . . . . 13.22 109.888 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 13.5 t -74.42 118.25 17.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 10.55 110.009 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 34.5 pt -130.43 165.3 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 8.13 110.816 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.427 ' HB3' ' HD2' ' A' ' 320' ' ' PRO . 19.5 m120 -106.63 158.09 33.56 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.625 -0.716 . . . . 8.17 109.328 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 319' ' ' ASN . 58.7 Cg_endo -71.41 46.27 0.74 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.164 2.576 . . . . 5.67 113.81 -176.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -80.8 -36.88 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.086 0.469 . . . . 3.83 110.039 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.42 -38.0 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 5.42 110.234 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.8 mtp -59.48 -36.51 76.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 4.09 110.739 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.58 66.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.784 -0.644 . . . . 2.96 110.813 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.78 -33.34 74.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.359 0.599 . . . . 2.26 110.177 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -72.24 -35.36 68.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.97 109.535 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -61.51 -48.72 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 2.56 110.348 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.87 -36.83 70.53 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 115.215 -0.902 . . . . 1.18 110.141 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.8 31.95 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.607 -1.178 . . . . 1.22 109.877 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 0.9 OUTLIER -71.3 -8.25 52.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.61 -1.632 . . . . 2.16 111.065 176.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.523 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 52.2 tt0 -52.24 -29.18 21.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.831 -0.622 . . . . 2.78 111.75 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.2 p -54.07 -52.04 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.16 0.505 . . . . 1.87 111.332 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 337' ' ' MET . 49.9 m -88.37 -46.38 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.841 -0.618 . . . . 1.76 111.318 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -87.0 -47.45 8.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.741 0.305 . . . . 3.93 111.653 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . 0.523 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -63.16 -44.35 97.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.92 112.742 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.55 -23.7 60.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.984 -0.287 . . . . 2.81 110.541 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 333' ' ' SER . 27.3 ttt -59.02 -48.15 82.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 3.57 110.108 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.16 97.85 Favored Glycine 0 C--O 1.225 -0.434 0 C-N-CA 120.863 -0.684 . . . . 0.83 111.939 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.14 -41.92 97.61 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.604 . . . . 2.98 110.211 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 5.8 tt -67.78 -46.07 73.07 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.062 -0.972 . . . . 2.33 109.714 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.3 65.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 1.53 112.113 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 77.2 p -70.34 -25.9 63.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.89 0.33 . . . . 2.04 111.89 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 340' ' ' LEU . 3.6 pt20 -75.5 -16.3 60.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.253 0.549 . . . . 3.13 110.055 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 59.66 65.69 1.11 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.723 -1.126 . . . . 3.75 110.869 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -68.86 -19.2 64.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.239 -0.891 . . . . 5.38 109.802 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -61.35 -26.14 67.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.784 -1.098 . . . . 6.39 110.113 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 20.0 m 72.98 107.79 0.07 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.078 -0.965 . . . . 5.05 110.887 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -70.62 -54.47 10.11 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.675 -0.693 . . . . 7.18 112.656 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.65 130.31 38.07 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.512 2.141 . . . . 8.95 111.729 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 12.8 t -79.79 -20.65 45.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.954 -0.566 . . . . 8.88 110.387 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -82.44 -88.49 0.69 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.787 -0.72 . . . . 10.03 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.86 -62.21 0.3 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.136 0.575 . . . . 11.23 111.281 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -78.81 68.57 4.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.412 -0.958 . . . . 12.47 108.412 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -140.55 140.39 35.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.086 -0.961 . . . . 13.09 108.972 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -65.0 -40.53 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 14.74 111.596 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -131.85 125.25 31.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.694 -0.484 . . . . 16.53 109.694 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 162.92 72.89 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.208 -0.996 . . . . 16.08 113.046 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.31 16.63 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.983 -0.747 . . . . 18.19 108.983 175.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.9 mmt 63.41 25.75 14.68 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.137 -0.938 . . . . 18.48 110.897 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.032 -0.985 . . . . 19.85 109.681 177.062 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.644 0.259 . . . . 19.79 110.354 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -126.07 -12.15 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.034 0.445 . . . . 17.27 111.018 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -126.17 118.86 26.08 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.08 -0.711 . . . . 18.33 109.08 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -165.5 89.53 0.1 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.516 -0.849 . . . . 14.49 112.231 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -146.97 141.49 26.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.194 -0.669 . . . . 12.87 109.194 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 63.98 -175.28 0.16 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.783 0.677 . . . . 13.22 110.584 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.0 m -101.65 58.58 0.85 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.153 0.502 . . . . 10.55 109.888 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.5 pp -112.34 18.9 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.052 -0.522 . . . . 8.13 112.063 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 27.5 p-10 -84.91 134.75 40.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.838 -0.43 . . . . 8.17 109.838 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 43.1 Cg_exo -58.28 132.39 48.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 5.67 112.378 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.22 -33.78 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.48 -0.782 . . . . 3.83 111.462 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.5 tpt -59.47 -44.89 92.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 5.42 110.649 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.51 -35.91 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 4.09 110.7 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.28 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.535 . . . . 2.96 110.451 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.57 90.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 2.26 110.314 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . 0.594 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -60.23 -44.69 95.0 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.798 -0.637 . . . . 1.97 110.605 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 331' ' ' GLN . 6.2 tp60 -56.86 -50.77 71.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.101 0.477 . . . . 2.56 111.069 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.24 99.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 115.246 -0.888 . . . . 1.18 110.319 -177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.1 -49.75 10.48 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-N 114.561 -1.199 . . . . 1.22 110.994 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.1 mm? -71.08 -8.9 56.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.837 -1.074 . . . . 2.16 111.041 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 327' ' ' GLN . 20.4 tt0 -52.23 -29.0 20.67 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.299 -0.41 . . . . 2.78 111.606 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 30.3 t -61.93 -48.22 81.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 1.87 110.922 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 8.6 p -91.39 -45.85 8.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 1.76 111.58 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -86.36 -44.4 12.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.462 -0.336 . . . . 3.93 111.266 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.59 -34.41 88.95 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.764 -0.732 . . . . 0.92 112.775 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' MET . . . . . 0.649 ' HG3' ' HG ' ' A' ' 340' ' ' LEU . 14.2 tpt -68.83 -22.56 64.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.807 -0.231 . . . . 2.81 111.097 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.8 mmt -53.58 -45.72 70.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.804 0.335 . . . . 3.57 111.012 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.53 -38.04 93.08 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.897 -0.668 . . . . 0.83 112.079 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.12 -42.62 96.78 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.2 0.524 . . . . 2.98 109.786 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.649 ' HG ' ' HG3' ' A' ' 336' ' ' MET . 90.1 mt -66.13 -46.4 77.66 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.365 -0.834 . . . . 2.33 110.387 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.72 73.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.42 -0.809 . . . . 1.53 111.766 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.7 p -71.84 -32.96 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.47 . . . . 2.04 110.942 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.27 -37.9 74.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.748 -0.66 . . . . 3.13 111.234 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 66.16 12.52 8.59 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.32 -0.854 . . . . 3.75 112.555 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -70.33 -21.89 62.86 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.544 0.688 . . . . 5.38 110.057 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.415 ' H ' ' HG3' ' A' ' 346' ' ' GLN . 0.0 OUTLIER -65.44 -24.54 67.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.07 -0.968 . . . . 6.39 111.052 177.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.5 t 72.14 36.83 1.06 Allowed 'General case' 0 N--CA 1.46 0.064 0 CA-C-N 115.142 -0.935 . . . . 5.05 111.101 172.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.67 18.63 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.521 -0.847 . . . . 7.18 111.519 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.14 166.67 28.56 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.281 1.987 . . . . 8.95 111.507 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 6.5 m -70.0 -19.53 63.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.295 0.569 . . . . 8.88 110.387 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 87.77 -64.19 3.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.285 -0.726 . . . . 10.03 111.285 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -167.5 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.961 -0.385 . . . . 11.23 109.961 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 64.5 t30 50.34 49.78 19.97 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.795 0.807 . . . . 12.47 109.56 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -154.17 -70.9 0.13 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.112 -0.949 . . . . 13.09 110.419 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -85.64 -30.18 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 14.74 110.434 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 356' ' ' GLN . 6.2 tp60 63.09 107.52 0.03 OUTLIER 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.813 0.696 . . . . 16.53 112.751 174.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -87.11 156.48 28.46 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.024 -0.83 . . . . 16.08 111.024 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -133.81 179.59 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.886 0.343 . . . . 18.19 111.357 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 87.8 mmm 65.34 81.97 0.19 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.25 -0.886 . . . . 18.48 111.441 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.694 -0.669 . . . . 19.85 109.265 174.548 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 61.9 ttp . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.669 0.271 . . . . 19.79 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -162.22 99.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.213 -0.449 . . . . 17.27 109.863 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 40.7 t80 58.59 59.64 2.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.678 0.751 . . . . 18.33 109.672 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -93.02 117.21 5.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.309 -0.859 . . . . 14.49 112.147 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -138.87 -164.77 1.71 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.637 -0.505 . . . . 12.87 109.637 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . 0.613 ' HD2' ' HE1' ' A' ' 322' ' ' MET . 36.1 p90 -60.09 -33.62 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 13.22 110.815 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 23.3 t -84.22 72.08 10.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.237 0.541 . . . . 10.55 110.403 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.52 -48.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.575 . . . . 8.13 109.685 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 8.8 p30 -133.72 146.74 61.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 8.17 110.101 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.644 ' O ' ' HG3' ' A' ' 323' ' ' MET . 22.0 Cg_exo -65.56 -10.3 25.82 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.474 2.783 . . . . 5.67 113.375 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' A' ' 319' ' ' ASN . . . -63.86 -29.11 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.543 0.211 . . . . 3.83 110.785 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' MET . . . . . 0.613 ' HE1' ' HD2' ' A' ' 316' ' ' PHE . 41.7 ttp -64.78 -47.65 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.488 -0.324 . . . . 5.42 110.64 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 320' ' ' PRO . 0.0 OUTLIER -66.8 -34.32 77.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.379 . . . . 4.09 109.984 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.69 91.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 2.96 110.777 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.59 75.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.533 . . . . 2.26 110.254 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.72 -34.01 74.92 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.484 -0.78 . . . . 1.97 110.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.72 -48.55 63.53 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.685 0.615 . . . . 2.56 112.088 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.99 65.56 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.913 0.863 . . . . 1.18 109.93 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.45 -34.22 31.58 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 114.25 -1.341 . . . . 1.22 109.717 -175.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.89 -6.92 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.968 -1.469 . . . . 2.16 110.443 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.756 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 34.5 tt0 -48.21 -27.95 2.73 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.651 -0.704 . . . . 2.78 111.984 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.3 p -52.46 -47.78 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 1.87 110.843 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 14.8 m -91.02 -46.52 8.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.955 -0.566 . . . . 1.76 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -86.57 -49.95 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.222 -0.444 . . . . 3.93 111.797 -170.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . 0.756 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -67.43 -27.84 73.58 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.137 -0.554 . . . . 0.92 112.549 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 42.2 ttp -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.457 0.303 . . . . 2.81 111.526 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 59.4 ttp -51.48 -50.2 60.32 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.833 0.349 . . . . 3.57 110.812 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -70.92 -35.52 65.29 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.811 -0.709 . . . . 0.83 112.19 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 69.2 mtp -62.75 -42.53 99.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.393 0.615 . . . . 2.98 109.794 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 60.4 tp -72.45 -39.64 67.66 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.022 -0.99 . . . . 2.33 110.045 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.71 -34.71 74.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.745 -0.661 . . . . 1.53 111.105 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 49.5 m -70.45 -42.71 71.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 2.04 110.38 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 6.3 tp-100 -71.65 -17.84 62.23 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.484 0.659 . . . . 3.13 109.812 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 343' ' ' GLN . 79.7 mt-30 76.89 131.4 0.05 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.246 -1.343 . . . . 3.75 111.185 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -91.03 22.24 3.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.639 1.209 . . . . 5.38 108.482 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 344' ' ' GLN . 34.5 tt0 -58.01 -33.87 69.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.527 -1.669 . . . . 6.39 109.903 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.3 m 52.74 72.49 0.41 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.6 -0.727 . . . . 5.05 111.577 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -60.64 -54.73 34.61 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.927 -0.654 . . . . 7.18 112.653 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.08 113.7 3.85 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.45 2.1 . . . . 8.95 111.555 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 23.1 t -87.44 -30.63 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.399 0.618 . . . . 8.88 109.59 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 87.95 -75.89 2.02 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.03 111.869 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -151.12 -55.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 11.23 110.404 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -156.67 131.11 8.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 12.47 109.91 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -127.2 93.45 3.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 13.09 110.972 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -95.2 -79.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.358 -0.608 . . . . 14.74 109.358 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -109.53 -9.65 14.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.498 -0.774 . . . . 16.53 109.819 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -80.7 76.51 2.11 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.826 -0.625 . . . . 16.08 111.703 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -68.86 -76.44 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 18.19 110.096 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.7 mmt -116.09 -6.25 11.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.559 . . . . 18.48 109.557 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 . . . . . 0 C--O 1.247 0.932 0 N-CA-C 108.602 -0.888 . . . . 19.85 108.602 -177.678 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.731 0.301 . . . . 19.79 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -145.46 136.45 24.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.353 . . . . 17.27 110.328 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -160.35 172.59 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.732 -0.667 . . . . 18.33 109.538 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . 0.694 ' HA3' ' HE2' ' A' ' 322' ' ' MET . . . 109.45 -34.0 5.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.702 -0.761 . . . . 14.49 112.288 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -135.88 -173.59 3.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.696 -0.483 . . . . 12.87 109.696 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -76.49 -84.9 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.765 0.317 . . . . 13.22 110.774 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.0 m -121.95 -28.82 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.491 -0.322 . . . . 10.55 111.032 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . 0.679 HG23 ' HD3' ' A' ' 320' ' ' PRO . 4.1 mp -89.37 103.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.26 -0.645 . . . . 8.13 109.26 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.671 ' HB3' ' HB2' ' A' ' 322' ' ' MET . 3.0 m-20 -124.38 64.73 38.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.459 . . . . 8.17 110.95 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.679 ' HD3' HG23 ' A' ' 318' ' ' ILE . 25.6 Cg_endo -63.64 -52.07 2.08 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.399 2.066 . . . . 5.67 112.731 -174.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.13 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.959 0.409 . . . . 3.83 110.686 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' MET . . . . . 0.694 ' HE2' ' HA3' ' A' ' 314' ' ' GLY . 23.9 mmt -67.21 -37.82 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 5.42 110.395 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 319' ' ' ASN . 68.1 mtt -65.81 -36.63 84.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.374 -0.375 . . . . 4.09 110.459 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.8 74.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 2.96 110.787 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.07 83.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.061 -0.518 . . . . 2.26 110.142 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -65.1 -48.72 72.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.735 -0.666 . . . . 1.97 109.626 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -50.36 70.38 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.201 0.524 . . . . 2.56 111.274 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.21 89.54 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.117 -0.947 . . . . 1.18 110.474 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.45 19.59 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 114.861 -1.063 . . . . 1.22 111.167 -171.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.624 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 15.0 mt -70.94 -6.95 42.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.011 -0.995 . . . . 2.16 111.399 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -50.19 -29.89 10.29 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.049 0.54 . . . . 2.78 112.275 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.7 m -61.57 -48.63 80.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 1.87 111.504 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 46.9 t -93.1 -46.53 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.857 0.361 . . . . 1.76 111.225 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -86.73 -37.17 18.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.37 . . . . 3.93 110.891 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -70.12 -28.93 70.95 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.92 112.021 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 ttm -67.67 -23.37 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.073 -0.075 . . . . 2.81 110.805 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.1 ttt -52.78 -49.11 66.23 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.643 0.258 . . . . 3.57 110.917 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.37 79.9 Favored Glycine 0 C--O 1.224 -0.487 0 C-N-CA 120.982 -0.628 . . . . 0.83 112.495 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.6 mmt -68.88 -42.83 76.45 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.338 0.589 . . . . 2.98 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.72 -46.85 70.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.09 -0.959 . . . . 2.33 109.85 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.46 74.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.369 -0.832 . . . . 1.53 110.906 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 25.5 t -67.53 -47.68 69.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.137 -0.69 . . . . 2.04 109.137 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.417 ' HA ' ' H ' ' A' ' 348' ' ' GLY . 24.6 mt-30 -67.43 -31.83 72.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.409 . . . . 3.13 110.238 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -60.83 -57.46 12.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 3.75 111.447 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -95.4 -55.78 2.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.261 0.553 . . . . 5.38 111.938 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -83.32 -28.23 29.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.669 -0.696 . . . . 6.39 111.788 -171.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.8 t 73.36 112.95 0.06 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.374 1.047 . . . . 5.05 109.393 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . 0.417 ' H ' ' HA ' ' A' ' 343' ' ' GLN . . . -59.87 -54.04 40.83 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.451 -0.795 . . . . 7.18 111.753 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.45 131.76 23.93 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.038 1.825 . . . . 8.95 109.443 164.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 52.6 m -63.02 -20.95 65.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 8.88 111.638 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 101.43 116.71 4.11 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.586 -0.816 . . . . 10.03 112.826 173.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -95.73 -25.69 15.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.379 -0.601 . . . . 11.23 109.379 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -165.31 -73.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.566 -0.743 . . . . 12.47 109.719 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 48.09 44.4 19.05 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.65 -0.705 . . . . 13.09 111.61 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -138.92 -49.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 14.74 109.799 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 59.12 63.07 1.69 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.352 0.596 . . . . 16.53 110.953 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -119.72 118.87 4.06 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.967 -0.853 . . . . 16.08 110.967 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -120.81 123.39 42.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.915 0.388 . . . . 18.19 111.062 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 28.2 ttt -102.7 -38.87 7.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.53 . . . . 18.48 109.821 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.985 -1.007 . . . . 19.85 111.425 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.655 0.264 . . . . 19.79 110.615 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 60.25 25.33 14.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.021 -0.536 . . . . 17.27 110.617 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -108.87 94.74 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.81 -0.632 . . . . 18.33 109.764 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 158.97 -125.62 1.54 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.606 -0.998 . . . . 14.49 110.606 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.88 116.39 5.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.354 -0.61 . . . . 12.87 109.354 173.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -84.56 15.25 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 13.22 111.812 -172.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 21.5 m -74.57 64.46 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.897 -0.779 . . . . 10.55 108.897 168.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 68.2 mt -79.04 118.69 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 8.13 111.714 -171.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -95.73 96.93 2.53 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.528 -0.915 . . . . 8.17 108.528 169.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.517 ' O ' ' HG2' ' A' ' 323' ' ' MET . 38.2 Cg_endo -65.84 140.11 59.81 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.885 2.39 . . . . 5.67 112.988 -170.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.13 -22.39 28.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.922 -1.035 . . . . 3.83 110.933 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.9 mtt -53.05 -33.75 53.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.538 -0.756 . . . . 5.42 111.749 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 26.1 ptt? -66.52 -35.59 80.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.117 0.484 . . . . 4.09 110.484 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.27 42.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.868 -0.606 . . . . 2.96 110.259 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 2.26 109.839 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.83 -46.75 64.94 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.477 -0.783 . . . . 1.97 109.403 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.02 -48.81 67.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 123.79 0.681 . . . . 2.56 111.473 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.66 62.69 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 115.194 -0.912 . . . . 1.18 110.202 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.8 30.02 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 114.422 -1.263 . . . . 1.22 110.149 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.22 -6.11 12.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.69 -1.595 . . . . 2.16 110.608 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -46.93 -28.55 1.65 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.529 0.732 . . . . 2.78 112.769 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.0 t -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.096 0.474 . . . . 1.87 110.519 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 34.4 t -92.18 -47.61 7.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 1.76 111.266 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -88.4 -50.37 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.945 0.35 . . . . 3.93 111.945 -173.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -64.48 -40.71 97.92 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.751 -0.738 . . . . 0.92 112.591 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 43.6 ttm -61.07 -27.17 68.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.164 0.186 . . . . 2.81 111.396 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.8 ttp -54.97 -43.94 73.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.191 0.52 . . . . 3.57 109.857 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.03 -46.88 6.84 Favored Glycine 0 C--O 1.222 -0.635 0 CA-C-N 115.566 -0.743 . . . . 0.83 112.339 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 56.7 mtt -60.41 -43.95 96.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.101 0.477 . . . . 2.98 111.222 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.36 -36.68 66.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.422 0.629 . . . . 2.33 109.783 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.96 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.169 -0.923 . . . . 1.53 111.157 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.4 m -69.57 -34.96 74.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 2.04 111.206 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -75.18 -15.74 60.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.968 0.413 . . . . 3.13 110.799 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 63.91 60.18 1.06 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.327 -0.852 . . . . 3.75 110.791 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -68.93 -8.02 40.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.603 -0.726 . . . . 5.38 110.293 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 350' ' ' SER . 85.0 mm-40 -59.68 -28.51 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 6.39 109.926 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 14.2 m 67.31 -174.08 0.19 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.246 -0.888 . . . . 5.05 111.993 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -79.18 -55.6 3.7 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 120.419 -0.896 . . . . 7.18 111.869 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.82 72.5 6.49 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.796 2.331 . . . . 8.95 110.7 170.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 346' ' ' GLN . 21.4 t -64.79 -24.01 67.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.651 -0.704 . . . . 8.88 112.025 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -171.73 36.27 0.16 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.569 -0.824 . . . . 10.03 111.658 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.65 53.85 2.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.628 0.251 . . . . 11.23 110.763 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.28 69.24 0.75 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.653 0.74 . . . . 12.47 110.383 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -97.85 68.05 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.654 0.74 . . . . 13.09 110.2 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -88.12 13.36 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 14.74 111.791 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . 0.559 HE21 ' HA ' ' A' ' 356' ' ' GLN . 0.0 OUTLIER 66.31 88.58 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.732 0.645 . . . . 16.53 111.098 -177.754 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 127.08 39.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.977 -0.63 . . . . 16.08 111.998 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 16.9 m120 65.12 13.29 8.61 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.959 0.504 . . . . 18.19 110.744 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.34 34.97 24.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.434 -0.803 . . . . 18.48 111.229 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.276 -0.869 . . . . 19.85 109.679 176.794 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.69 0.281 . . . . 19.79 111.055 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -88.07 110.65 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 17.27 110.242 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.08 118.71 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.867 -0.606 . . . . 18.33 111.034 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 179.58 -158.24 21.9 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.461 -0.656 . . . . 14.49 111.461 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -77.87 91.73 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.954 0.377 . . . . 12.87 110.5 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -66.28 -60.08 3.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.865 -0.607 . . . . 13.22 111.855 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 17.9 p -97.45 -99.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 10.55 112.126 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . 0.512 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 47.2 mt -121.62 145.64 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 8.13 110.85 -172.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -99.23 94.34 2.66 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 108.99 -0.744 . . . . 8.17 108.99 171.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 96.3 Cg_endo -85.28 53.24 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.832 2.354 . . . . 5.67 112.736 -172.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.265 -0.425 . . . . 3.83 111.02 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.0 ptm -75.37 -35.34 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 5.42 110.717 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.612 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 24.0 mmt -66.88 -37.01 83.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.03 0.443 . . . . 4.09 110.558 -178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.87 84.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.619 . . . . 2.96 110.368 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.09 77.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 2.26 109.994 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -63.89 -48.6 75.98 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.738 -0.664 . . . . 1.97 109.52 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 323' ' ' MET . 11.9 mm100 -57.01 -48.92 77.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.995 0.426 . . . . 2.56 111.052 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.36 95.29 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.438 -0.801 . . . . 1.18 110.842 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.28 26.2 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.938 -1.028 . . . . 1.22 110.758 -172.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.4 tp -71.63 -10.31 59.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.612 -1.176 . . . . 2.16 110.309 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -52.04 -28.91 18.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.562 -0.744 . . . . 2.78 112.102 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 p -59.48 -48.04 83.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.053 0.454 . . . . 1.87 111.164 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' ' 337' ' ' MET . 30.6 t -88.67 -46.12 9.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.028 -0.533 . . . . 1.76 110.901 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -86.03 -29.75 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.049 -0.523 . . . . 3.93 111.454 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -63.66 -43.88 97.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.765 -0.731 . . . . 0.92 112.418 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.16 -28.02 66.93 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.933 -0.307 . . . . 2.81 111.03 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 333' ' ' SER . 24.7 mmt -57.69 -47.79 81.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 3.57 110.067 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.31 76.07 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-N 115.725 -0.671 . . . . 0.83 112.048 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 62.0 mtt -60.49 -43.02 97.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 117.703 0.751 . . . . 2.98 110.514 -178.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.9 -46.7 80.61 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.379 -0.828 . . . . 2.33 109.94 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.76 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.113 -0.949 . . . . 1.53 111.935 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 58.1 p -70.75 -34.76 72.19 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.725 0.298 . . . . 2.04 111.379 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -73.17 -15.04 61.47 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.179 -0.464 . . . . 3.13 111.259 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 66.32 46.49 1.98 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.438 -0.801 . . . . 3.75 110.821 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.75 -27.63 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.347 0.594 . . . . 5.38 109.991 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -65.87 -28.46 68.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.054 -0.976 . . . . 6.39 110.381 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 49.5 m -104.21 15.41 28.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 5.05 110.785 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.62 41.69 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.897 -0.592 . . . . 7.18 112.774 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 5.41 4.5 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.467 2.111 . . . . 8.95 113.012 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 47.4 t -75.34 -21.41 58.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 8.88 110.584 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -159.1 -155.5 7.67 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.7 -0.762 . . . . 10.03 111.566 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -105.66 128.36 53.61 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 110.078 -0.342 . . . . 11.23 110.078 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -61.01 109.34 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.414 -0.588 . . . . 12.47 109.414 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 354' ' ' GLN . 0.4 OUTLIER -86.91 31.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.154 0.798 . . . . 13.09 113.154 -166.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -176.0 108.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.49 -0.189 . . . . 14.74 110.49 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 68.5 39.36 2.16 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.988 0.805 . . . . 16.53 110.395 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -154.1 35.29 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 16.08 112.264 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.19 164.59 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.272 -0.64 . . . . 18.19 109.272 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.44 29.5 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.86 0.362 . . . . 18.48 110.816 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.714 -0.66 . . . . 19.85 109.931 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 121.021 0.438 . . . . 19.79 109.949 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -103.21 68.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.057 0.456 . . . . 17.27 111.253 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -110.57 23.53 14.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.761 0.791 . . . . 18.33 109.44 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -151.09 104.78 0.27 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.704 -1.135 . . . . 14.49 110.532 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -67.53 -76.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.587 0.232 . . . . 12.87 111.397 -174.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.62 -81.24 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.488 -0.56 . . . . 13.22 109.488 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.8 t -78.95 109.13 12.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.413 -0.588 . . . . 10.55 109.413 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 10.9 tt -62.37 -33.57 59.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.048 -0.524 . . . . 8.13 111.012 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.455 ' HA ' ' HD2' ' A' ' 320' ' ' PRO . 62.1 m-80 -134.85 113.03 11.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.285 -0.416 . . . . 8.17 109.896 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 319' ' ' ASN . 14.2 Cg_endo -57.61 -18.33 32.33 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.418 2.745 . . . . 5.67 112.638 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.51 70.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.409 -0.36 . . . . 3.83 111.128 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.3 tpt -67.2 -39.74 86.37 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.102 0.477 . . . . 5.42 110.421 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 2.0 tmt? -66.9 -37.97 85.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 4.09 109.963 177.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.59 81.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 2.96 110.563 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.84 72.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 2.26 110.264 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.67 -35.8 73.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 1.97 109.87 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 323' ' ' MET . 15.9 mm100 -58.36 -38.3 76.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.194 0.309 . . . . 2.56 111.45 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.31 -45.07 68.83 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.978 0.894 . . . . 1.18 110.281 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.24 24.67 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.346 -1.297 . . . . 1.22 109.944 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.66 -8.15 49.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 113.738 -1.573 . . . . 2.16 111.292 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.79 -30.44 14.2 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.378 0.51 . . . . 2.78 112.378 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.0 t -74.99 -44.92 45.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.948 0.404 . . . . 1.87 110.406 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.9 m -83.63 -46.94 11.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 1.76 111.25 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -88.81 -39.17 14.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.758 0.313 . . . . 3.93 110.676 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.88 74.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.159 -0.543 . . . . 0.92 113.288 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.42 -22.69 62.7 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.659 -0.318 . . . . 2.81 110.852 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.4 ttp -54.91 -46.74 74.89 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.706 0.288 . . . . 3.57 110.675 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.45 94.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.9 -0.667 . . . . 0.83 111.973 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.334 0.588 . . . . 2.98 110.159 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.37 -46.94 68.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.806 -1.088 . . . . 2.33 110.514 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.57 71.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.527 -0.76 . . . . 1.53 111.545 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 46.8 t -68.71 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 2.04 111.026 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.69 -15.09 60.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 3.13 111.124 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 65.0 53.34 1.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.565 -0.743 . . . . 3.75 110.632 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -74.47 1.07 12.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.405 -0.816 . . . . 5.38 110.322 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -63.54 -28.04 69.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.063 -0.971 . . . . 6.39 110.089 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 21.3 m 50.16 65.48 1.42 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.607 0.567 . . . . 5.05 110.676 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -70.01 -55.45 9.31 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.753 -0.658 . . . . 7.18 113.89 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.54 103.41 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.348 2.032 . . . . 8.95 112.793 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 18.1 m -87.18 -22.95 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 8.88 109.416 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -95.74 107.21 3.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.568 -0.742 . . . . 10.03 111.39 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -91.94 179.88 5.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.857 0.361 . . . . 11.23 111.162 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -83.2 150.44 26.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 12.47 110.868 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.63 -166.77 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.742 -0.663 . . . . 13.09 109.769 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 59.28 33.7 22.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.334 0.588 . . . . 14.74 110.404 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -175.44 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.379 -0.971 . . . . 16.53 108.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -95.87 74.54 0.83 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.117 -1.193 . . . . 16.08 110.117 170.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.29 112.39 0.87 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 18.19 110.931 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 46.0 tpp -96.98 125.53 41.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.597 -0.728 . . . . 18.48 111.041 -171.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.726 -0.654 . . . . 19.85 110.415 177.388 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.838 0.351 . . . . 19.79 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -85.94 161.03 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.175 -0.306 . . . . 17.27 110.175 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -119.82 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.209 0.528 . . . . 18.33 110.584 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 86.17 40.4 7.49 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.725 -0.75 . . . . 14.49 112.297 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -120.49 -1.8 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.543 0.211 . . . . 12.87 110.716 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 66.7 t80 64.11 -85.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.67 -0.696 . . . . 13.22 110.988 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 75.2 m -160.04 -89.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.496 -0.32 . . . . 10.55 110.427 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 29.8 mm -126.9 84.49 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.086 0.469 . . . . 8.13 110.286 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -135.8 70.88 64.63 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.4 -0.364 . . . . 8.17 111.251 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.42 -36.8 92.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.805 2.337 . . . . 5.67 112.063 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.93 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 3.83 111.356 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.29 -41.36 81.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 5.42 110.804 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.1 -35.85 80.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 4.09 110.621 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.77 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 2.96 110.711 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.88 85.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.125 0.488 . . . . 2.26 109.985 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -66.06 -48.4 71.14 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.313 -0.858 . . . . 1.97 110.015 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 327' ' ' GLN . 5.1 tp60 -56.29 -45.96 79.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 2.56 111.375 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.88 88.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.776 -0.647 . . . . 1.18 110.878 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.4 -49.11 11.91 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.221 -0.899 . . . . 1.22 110.721 -170.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 25.2 mt -67.48 -6.7 20.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.452 -1.249 . . . . 2.16 111.052 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -51.5 -27.84 11.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.045 0.45 . . . . 2.78 111.221 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.4 t -61.47 -46.61 89.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.87 110.564 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.8 m -86.01 -43.48 13.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 1.76 111.263 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -85.35 -41.01 15.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 3.93 110.725 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.04 -28.01 72.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.243 -0.503 . . . . 0.92 112.668 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.7 tpp -60.09 -23.72 64.03 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 120.241 0.067 . . . . 2.81 111.16 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.44 -40.85 88.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 3.57 110.291 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.17 -34.68 29.06 Favored Glycine 0 CA--C 1.505 -0.565 0 C-N-CA 121.026 -0.606 . . . . 0.83 112.084 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 71.8 mtp -63.66 -43.46 96.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.263 0.554 . . . . 2.98 109.804 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.11 -46.26 74.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.976 -1.011 . . . . 2.33 109.334 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.18 79.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.418 -0.81 . . . . 1.53 111.448 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 67.8 m -70.56 -45.23 65.83 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 2.04 110.556 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.42 -34.21 77.45 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.878 -0.601 . . . . 3.13 110.588 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 68.8 109.13 0.05 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.484 0.659 . . . . 3.75 110.599 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -67.72 -24.64 65.4 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.286 -0.87 . . . . 5.38 110.829 -171.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.9 -37.55 76.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.875 -0.602 . . . . 6.39 110.057 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m 60.22 15.92 5.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.018 -0.992 . . . . 5.05 112.365 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -61.02 -53.8 42.08 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.11 -0.567 . . . . 7.18 112.697 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 19.3 Cg_endo -61.89 122.73 11.39 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.238 1.959 . . . . 8.95 111.773 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.3 p -72.14 -23.82 61.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 8.88 110.914 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -169.85 159.2 31.75 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.402 -0.679 . . . . 10.03 111.402 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -114.94 -59.45 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.759 0.314 . . . . 11.23 110.242 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -130.26 -62.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 12.47 110.994 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.464 ' HG2' ' HB2' ' A' ' 358' ' ' ASN . 6.5 tp-100 -133.1 136.7 46.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 13.09 110.328 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -121.3 -59.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 14.74 110.978 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -106.02 76.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.171 0.51 . . . . 16.53 111.026 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 140.53 176.09 14.98 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.601 -0.727 . . . . 16.08 112.171 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . 0.464 ' HB2' ' HG2' ' A' ' 354' ' ' GLN . 17.0 m120 57.4 31.96 21.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.909 0.385 . . . . 18.19 111.548 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 49.4 ttm -130.42 129.46 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.491 . . . . 18.48 110.258 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.067 -0.968 . . . . 19.85 109.552 179.343 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.915 0.388 . . . . 19.79 110.217 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -159.7 117.65 2.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.947 -0.57 . . . . 17.27 110.223 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -104.14 -34.97 8.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 18.33 109.897 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 166.71 -144.28 8.97 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.713 -0.756 . . . . 14.49 112.448 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -87.87 106.82 18.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.937 0.398 . . . . 12.87 111.167 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.73 -35.52 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 13.22 110.389 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 33.7 t -80.0 69.54 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 10.55 110.763 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . 0.465 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 26.4 pt -139.14 151.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.616 -0.72 . . . . 8.13 109.81 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 16.9 m120 -96.08 100.77 7.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.141 -0.689 . . . . 8.17 109.141 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 9.6 Cg_endo -88.68 124.76 1.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.264 2.643 . . . . 5.67 112.838 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.792 -0.64 . . . . 3.83 110.986 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.4 ttt -60.02 -43.02 95.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.917 -0.583 . . . . 5.42 110.986 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -64.07 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.09 110.238 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.24 79.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.763 -0.653 . . . . 2.96 110.661 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.02 76.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 2.26 110.509 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -68.48 -36.22 78.64 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.695 -0.684 . . . . 1.97 110.194 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.39 -50.24 70.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.238 0.542 . . . . 2.56 111.547 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.56 84.27 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.344 -0.844 . . . . 1.18 110.295 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.97 -34.3 33.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.366 -1.288 . . . . 1.22 110.295 -170.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.1 tp -69.16 -4.61 18.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.011 -1.449 . . . . 2.16 110.807 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -42.88 -29.88 0.36 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.483 0.92 . . . . 2.78 113.483 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 p -60.72 -47.84 84.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.061 0.458 . . . . 1.87 111.186 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 9.6 p -96.0 -45.16 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.177 -0.465 . . . . 1.76 111.424 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.016 0.436 . . . . 3.93 110.942 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -68.95 -28.92 72.6 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.641 -0.79 . . . . 0.92 112.42 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 tpp -66.84 -23.76 66.07 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.796 -0.238 . . . . 2.81 111.012 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 52.5 ttp -56.52 -46.23 80.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 3.57 110.233 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -69.93 -39.76 74.68 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.826 -0.702 . . . . 0.83 111.851 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.553 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 21.0 mmt -60.76 -42.91 98.39 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.123 0.487 . . . . 2.98 109.942 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.74 -46.04 80.35 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.082 -0.963 . . . . 2.33 110.541 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.86 74.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.443 -0.799 . . . . 1.53 111.169 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 68.7 m -68.72 -24.55 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 2.04 110.629 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 339' ' ' MET . 52.5 mt-30 -75.65 -13.95 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 3.13 111.174 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 66.41 29.62 9.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.294 -0.866 . . . . 3.75 110.16 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -68.0 -11.8 59.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.49 -0.777 . . . . 5.38 110.049 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.82 -28.09 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.967 -1.015 . . . . 6.39 109.978 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 46.7 m -106.34 107.31 18.25 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.428 -0.805 . . . . 5.05 109.938 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . 0.519 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -60.75 -47.61 90.36 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.311 -0.858 . . . . 7.18 114.409 -177.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 24.7 Cg_endo -62.87 87.15 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.484 2.123 . . . . 8.95 112.981 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 17.1 p -86.86 -28.48 22.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 8.88 110.408 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 105.44 -108.27 2.99 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.787 -0.721 . . . . 10.03 112.064 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -114.93 53.33 0.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.073 0.463 . . . . 11.23 110.772 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.07 94.8 0.36 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 12.47 110.937 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 57.34 63.76 1.78 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.341 -0.845 . . . . 13.09 111.347 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 69.67 157.33 0.15 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.705 0.764 . . . . 14.74 111.866 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -91.08 8.71 34.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.75 . . . . 16.53 111.225 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -179.99 168.9 39.42 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.946 -0.645 . . . . 16.08 112.027 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 61.73 81.36 0.2 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.002 0.521 . . . . 18.19 112.292 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 360' ' ' GLN . 51.6 ttm -89.22 -54.1 4.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.555 -0.906 . . . . 18.48 108.555 172.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . 0.914 HE21 ' HA ' ' A' ' 360' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.855 -1.066 . . . . 19.85 108.45 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 110.04 -0.355 . . . . 19.79 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -54.14 -51.36 64.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.945 0.402 . . . . 17.27 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -86.39 111.72 20.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.053 -0.721 . . . . 18.33 109.053 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -151.21 144.86 12.24 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.429 -0.891 . . . . 14.49 112.103 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -102.54 8.34 39.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.115 0.483 . . . . 12.87 110.481 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.67 28.98 5.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 13.22 109.726 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.8 m -80.47 75.13 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.709 -0.678 . . . . 10.55 111.822 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 38.1 mm 64.19 95.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.698 -0.683 . . . . 8.13 112.004 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.602 ' N ' ' HD2' ' A' ' 320' ' ' PRO . 14.9 m120 -68.02 -43.31 35.71 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.855 0.687 . . . . 8.17 112.855 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 319' ' ' ASN . 12.1 Cg_endo -56.75 -28.15 74.69 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.143 1.895 . . . . 5.67 112.754 178.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.37 90.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.929 0.395 . . . . 3.83 110.235 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 38.9 tpp -65.47 -42.94 91.73 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.759 -0.655 . . . . 5.42 110.21 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.69 -38.9 82.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.036 0.446 . . . . 4.09 111.034 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.93 58.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 2.96 110.727 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.7 76.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.868 -0.605 . . . . 2.26 110.353 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . 0.648 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -67.7 -48.34 66.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.001 -0.545 . . . . 1.97 109.943 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -55.83 -51.12 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.239 0.542 . . . . 2.56 110.691 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.53 95.44 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 114.845 -1.071 . . . . 1.18 110.456 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.44 -34.81 31.26 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.938 -1.028 . . . . 1.22 110.312 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.648 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.9 mt -69.01 -6.12 25.97 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.66 -1.609 . . . . 2.16 111.202 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -52.33 -25.51 9.81 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.206 0.316 . . . . 2.78 111.592 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.6 p -60.22 -45.63 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 1.87 110.79 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 -46.33 11.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.662 -0.699 . . . . 1.76 110.858 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -87.4 -49.8 6.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 3.93 111.697 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -64.02 -43.64 97.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.673 -0.775 . . . . 0.92 112.462 -175.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.1 tpp -68.77 -24.22 64.4 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 121.247 -0.181 . . . . 2.81 110.653 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 48.4 ttm -58.13 -44.28 87.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 3.57 109.781 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -75.56 -38.13 38.67 Favored Glycine 0 C--O 1.22 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.83 112.116 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 61.2 mtt -61.39 -42.24 98.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 117.505 0.653 . . . . 2.98 110.21 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.42 -45.67 79.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.585 -0.734 . . . . 2.33 110.07 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.04 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.54 -0.755 . . . . 1.53 110.828 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.1 t -70.44 -30.57 67.45 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.238 -0.437 . . . . 2.04 110.072 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.05 -21.4 60.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.787 -0.642 . . . . 3.13 110.058 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 62.32 71.49 0.53 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.666 -0.697 . . . . 3.75 110.689 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -70.55 -23.07 62.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.533 -0.758 . . . . 5.38 110.265 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -63.92 -28.97 70.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.519 -0.764 . . . . 6.39 109.896 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 33.1 m -112.27 25.91 11.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.667 -0.697 . . . . 5.05 109.798 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -61.82 -53.99 38.9 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.446 -0.797 . . . . 7.18 112.643 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 18.2 Cg_endo -60.96 141.27 94.01 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.326 2.017 . . . . 8.95 111.778 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.8 p -74.84 -25.61 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 8.88 110.945 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -112.89 142.36 17.32 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.197 -0.761 . . . . 10.03 111.197 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -61.07 155.61 19.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.575 0.226 . . . . 11.23 110.742 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -75.75 67.95 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.502 0.668 . . . . 12.47 111.072 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.415 ' HG3' ' H ' ' A' ' 356' ' ' GLN . 8.6 tp-100 -144.18 152.66 41.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.392 -0.822 . . . . 13.09 108.875 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -76.24 -12.36 60.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.706 0.289 . . . . 14.74 111.14 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . 0.415 ' H ' ' HG3' ' A' ' 354' ' ' GLN . 35.4 tt0 -140.9 88.76 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 16.53 110.258 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -145.72 56.92 0.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.389 -0.684 . . . . 16.08 111.389 178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -82.54 112.39 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.234 . . . . 18.19 110.757 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 26.5 mmt 67.18 -73.84 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.813 0.695 . . . . 18.48 112.064 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.548 -0.739 . . . . 19.85 109.668 -176.256 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 CA--C 1.531 0.361 0 N-CA-C 113.81 0.658 . . . . 5.2 113.81 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -80.8 -36.88 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.086 0.469 . . . . 3.54 110.039 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.42 -38.0 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 5.05 110.234 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.8 mtp -59.48 -36.51 76.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 3.62 110.739 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.58 66.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.784 -0.644 . . . . 2.32 110.813 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.78 -33.34 74.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.359 0.599 . . . . 1.81 110.177 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 326' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -72.24 -35.36 68.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.68 109.535 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -61.51 -48.72 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 2.56 110.348 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.87 -36.83 70.53 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 115.215 -0.902 . . . . 0.98 110.141 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.8 31.95 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.607 -1.178 . . . . 0.92 109.877 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 0.9 OUTLIER -71.3 -8.25 52.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.61 -1.632 . . . . 1.59 111.065 176.436 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.56 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 52.2 tt0 -52.24 -29.18 21.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.831 -0.622 . . . . 2.41 111.75 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.2 p -54.07 -52.04 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.16 0.505 . . . . 1.46 111.332 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 337' ' ' MET . 49.9 m -88.37 -46.38 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.841 -0.618 . . . . 1.39 111.318 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -87.0 -47.45 8.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.741 0.305 . . . . 3.18 111.653 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' GLY . . . . . 0.56 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -63.16 -44.35 97.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.83 112.742 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.55 -23.7 60.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.984 -0.287 . . . . 2.31 110.541 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 333' ' ' SER . 27.3 ttt -59.02 -48.15 82.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 3.15 110.108 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.16 97.85 Favored Glycine 0 C--O 1.225 -0.434 0 C-N-CA 120.863 -0.684 . . . . 0.66 111.939 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.14 -41.92 97.61 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.604 . . . . 2.55 110.211 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 5.8 tt -67.78 -46.07 73.07 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.062 -0.972 . . . . 1.76 109.714 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.3 65.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.88 112.113 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 77.2 p -70.34 -25.9 63.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.89 0.33 . . . . 1.61 111.89 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 340' ' ' LEU . 13.7 pt20 -75.5 -16.3 60.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.253 0.549 . . . . 2.89 110.055 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-N 114.723 -1.126 . . . . 3.1 110.869 -179.715 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 121.048 0.353 . . . . 5.2 112.378 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.22 -33.78 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.48 -0.782 . . . . 3.54 111.462 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.5 tpt -59.47 -44.89 92.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 5.05 110.649 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.51 -35.91 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 3.62 110.7 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.28 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.535 . . . . 2.32 110.451 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.57 90.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 1.81 110.314 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 326' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -60.23 -44.69 95.0 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.798 -0.637 . . . . 1.68 110.605 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 331' ' ' GLN . 6.2 tp60 -56.86 -50.77 71.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.101 0.477 . . . . 2.56 111.069 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.24 99.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 115.246 -0.888 . . . . 0.98 110.319 -177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.1 -49.75 10.48 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-N 114.561 -1.199 . . . . 0.92 110.994 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.1 mm? -71.08 -8.9 56.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.837 -1.074 . . . . 1.59 111.041 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 327' ' ' GLN . 20.4 tt0 -52.23 -29.0 20.67 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.299 -0.41 . . . . 2.41 111.606 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 30.3 t -61.93 -48.22 81.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 1.46 110.922 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 8.6 p -91.39 -45.85 8.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 1.39 111.58 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -86.36 -44.4 12.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.462 -0.336 . . . . 3.18 111.266 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.59 -34.41 88.95 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.764 -0.732 . . . . 0.83 112.775 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 336' ' ' MET . . . . . 0.647 ' HG3' ' HG ' ' A' ' 340' ' ' LEU . 14.2 tpt -68.83 -22.56 64.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.807 -0.231 . . . . 2.31 111.097 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.8 mmt -53.58 -45.72 70.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.804 0.335 . . . . 3.15 111.012 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.53 -38.04 93.08 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.897 -0.668 . . . . 0.66 112.079 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.12 -42.62 96.78 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.2 0.524 . . . . 2.55 109.786 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.647 ' HG ' ' HG3' ' A' ' 336' ' ' MET . 90.1 mt -66.13 -46.4 77.66 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.365 -0.834 . . . . 1.76 110.387 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.72 73.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.42 -0.809 . . . . 0.88 111.766 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.7 p -71.84 -32.96 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.47 . . . . 1.61 110.942 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.27 -37.9 74.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.748 -0.66 . . . . 2.89 111.234 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 115.32 -0.854 . . . . 3.1 112.555 174.574 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 320' ' ' PRO . . . . . 0.652 ' O ' ' HG3' ' A' ' 323' ' ' MET . 22.0 Cg_exo . . . . . 0 CA--C 1.528 0.21 0 N-CA-C 113.375 0.49 . . . . 5.2 113.375 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.11 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.543 0.211 . . . . 3.54 110.785 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 41.7 ttp -64.78 -47.65 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.488 -0.324 . . . . 5.05 110.64 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' ' 320' ' ' PRO . 0.0 OUTLIER -66.8 -34.32 77.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.379 . . . . 3.62 109.984 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.69 91.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 2.32 110.777 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.59 75.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.533 . . . . 1.81 110.254 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.72 -34.01 74.92 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.484 -0.78 . . . . 1.68 110.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.72 -48.55 63.53 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.685 0.615 . . . . 2.56 112.088 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.99 65.56 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.913 0.863 . . . . 0.98 109.93 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.45 -34.22 31.58 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 114.25 -1.341 . . . . 0.92 109.717 -175.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.89 -6.92 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.968 -1.469 . . . . 1.59 110.443 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.781 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 34.5 tt0 -48.21 -27.95 2.73 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.651 -0.704 . . . . 2.41 111.984 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.3 p -52.46 -47.78 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 1.46 110.843 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 14.8 m -91.02 -46.52 8.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.955 -0.566 . . . . 1.39 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -86.57 -49.95 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.222 -0.444 . . . . 3.18 111.797 -170.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' GLY . . . . . 0.781 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -67.43 -27.84 73.58 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.137 -0.554 . . . . 0.83 112.549 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 42.2 ttp -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.457 0.303 . . . . 2.31 111.526 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 59.4 ttp -51.48 -50.2 60.32 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.833 0.349 . . . . 3.15 110.812 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -70.92 -35.52 65.29 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.811 -0.709 . . . . 0.66 112.19 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 69.2 mtp -62.75 -42.53 99.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.393 0.615 . . . . 2.55 109.794 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 60.4 tp -72.45 -39.64 67.66 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.022 -0.99 . . . . 1.76 110.045 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.71 -34.71 74.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.745 -0.661 . . . . 0.88 111.105 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 49.5 m -70.45 -42.71 71.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 1.61 110.38 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 6.3 tp-100 -71.65 -17.84 62.23 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.484 0.659 . . . . 2.89 109.812 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 344' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 343' ' ' GLN . 79.7 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-N 114.246 -1.343 . . . . 3.1 111.185 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo . . . . . 0 CA--C 1.53 0.306 0 N-CA-C 112.731 0.243 . . . . 5.2 112.731 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.13 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.959 0.409 . . . . 3.54 110.686 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 23.9 mmt -67.21 -37.82 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 5.05 110.395 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.1 mtt -65.81 -36.63 84.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.374 -0.375 . . . . 3.62 110.459 176.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.8 74.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 2.32 110.787 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.07 83.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.061 -0.518 . . . . 1.81 110.142 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 326' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -65.1 -48.72 72.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.735 -0.666 . . . . 1.68 109.626 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -50.36 70.38 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.201 0.524 . . . . 2.56 111.274 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.21 89.54 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.117 -0.947 . . . . 0.98 110.474 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.45 19.59 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 114.861 -1.063 . . . . 0.92 111.167 -171.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 15.0 mt -70.94 -6.95 42.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.011 -0.995 . . . . 1.59 111.399 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -50.19 -29.89 10.29 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.049 0.54 . . . . 2.41 112.275 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.7 m -61.57 -48.63 80.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 1.46 111.504 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 46.9 t -93.1 -46.53 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.857 0.361 . . . . 1.39 111.225 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -86.73 -37.17 18.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.37 . . . . 3.18 110.891 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -70.12 -28.93 70.95 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.83 112.021 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 ttm -67.67 -23.37 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.073 -0.075 . . . . 2.31 110.805 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.1 ttt -52.78 -49.11 66.23 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.643 0.258 . . . . 3.15 110.917 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.37 79.9 Favored Glycine 0 C--O 1.224 -0.487 0 C-N-CA 120.982 -0.628 . . . . 0.66 112.495 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.6 mmt -68.88 -42.83 76.45 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.338 0.589 . . . . 2.55 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.72 -46.85 70.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.09 -0.959 . . . . 1.76 109.85 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.46 74.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.369 -0.832 . . . . 0.88 110.906 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 25.5 t -67.53 -47.68 69.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.137 -0.69 . . . . 1.61 109.137 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.43 -31.83 72.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.409 . . . . 2.89 110.238 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 3.1 111.447 -178.647 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 320' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 323' ' ' MET . 38.2 Cg_endo . . . . . 0 N--CA 1.464 -0.243 0 CA-C-O 121.3 0.458 . . . . 5.2 112.988 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.13 -22.39 28.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.922 -1.035 . . . . 3.54 110.933 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.9 mtt -53.05 -33.75 53.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.538 -0.756 . . . . 5.05 111.749 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 26.1 ptt? -66.52 -35.59 80.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.117 0.484 . . . . 3.62 110.484 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.27 42.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.868 -0.606 . . . . 2.32 110.259 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.839 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.83 -46.75 64.94 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.477 -0.783 . . . . 1.68 109.403 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.02 -48.81 67.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 123.79 0.681 . . . . 2.56 111.473 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.66 62.69 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 115.194 -0.912 . . . . 0.98 110.202 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.8 30.02 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 114.422 -1.263 . . . . 0.92 110.149 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.22 -6.11 12.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.69 -1.595 . . . . 1.59 110.608 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' H ' ' A' ' 335' ' ' GLY . 29.9 pt20 -46.93 -28.55 1.65 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.529 0.732 . . . . 2.41 112.769 -176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.0 t -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.096 0.474 . . . . 1.46 110.519 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 34.4 t -92.18 -47.61 7.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 1.39 111.266 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -88.4 -50.37 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.945 0.35 . . . . 3.18 111.945 -173.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 331' ' ' GLN . . . -64.48 -40.71 97.92 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.751 -0.738 . . . . 0.83 112.591 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 43.6 ttm -61.07 -27.17 68.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.164 0.186 . . . . 2.31 111.396 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.8 ttp -54.97 -43.94 73.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.191 0.52 . . . . 3.15 109.857 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.03 -46.88 6.84 Favored Glycine 0 C--O 1.222 -0.635 0 CA-C-N 115.566 -0.743 . . . . 0.66 112.339 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 56.7 mtt -60.41 -43.95 96.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.101 0.477 . . . . 2.55 111.222 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.36 -36.68 66.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.422 0.629 . . . . 1.76 109.783 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.96 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.169 -0.923 . . . . 0.88 111.157 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.4 m -69.57 -34.96 74.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 1.61 111.206 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -75.18 -15.74 60.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.968 0.413 . . . . 2.89 110.799 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-N 115.327 -0.852 . . . . 3.1 110.791 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 320' ' ' PRO . . . . . 0.495 ' HB2' ' HB2' ' A' ' 323' ' ' MET . 96.3 Cg_endo . . . . . 0 N--CA 1.458 -0.582 0 N-CA-C 112.736 0.245 . . . . 5.2 112.736 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.265 -0.425 . . . . 3.54 111.02 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.0 ptm -75.37 -35.34 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 5.05 110.717 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.621 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 24.0 mmt -66.88 -37.01 83.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.03 0.443 . . . . 3.62 110.558 -178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.87 84.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.619 . . . . 2.32 110.368 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.09 77.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.81 109.994 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 326' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -63.89 -48.6 75.98 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.738 -0.664 . . . . 1.68 109.52 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 323' ' ' MET . 11.9 mm100 -57.01 -48.92 77.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.995 0.426 . . . . 2.56 111.052 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.36 95.29 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.438 -0.801 . . . . 0.98 110.842 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.28 26.2 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.938 -1.028 . . . . 0.92 110.758 -172.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.4 tp -71.63 -10.31 59.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.612 -1.176 . . . . 1.59 110.309 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -52.04 -28.91 18.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.562 -0.744 . . . . 2.41 112.102 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 p -59.48 -48.04 83.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.053 0.454 . . . . 1.46 111.164 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 337' ' ' MET . 30.6 t -88.67 -46.12 9.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.028 -0.533 . . . . 1.39 110.901 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -86.03 -29.75 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.049 -0.523 . . . . 3.18 111.454 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -63.66 -43.88 97.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.765 -0.731 . . . . 0.83 112.418 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.16 -28.02 66.93 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.933 -0.307 . . . . 2.31 111.03 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 333' ' ' SER . 24.7 mmt -57.69 -47.79 81.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 3.15 110.067 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.31 76.07 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-N 115.725 -0.671 . . . . 0.66 112.048 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 62.0 mtt -60.49 -43.02 97.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 117.703 0.751 . . . . 2.55 110.514 -178.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.9 -46.7 80.61 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.379 -0.828 . . . . 1.76 109.94 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.76 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.113 -0.949 . . . . 0.88 111.935 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 58.1 p -70.75 -34.76 72.19 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.725 0.298 . . . . 1.61 111.379 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -73.17 -15.04 61.47 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.179 -0.464 . . . . 2.89 111.259 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 . . . . . 0 N--CA 1.462 0.137 0 CA-C-N 115.438 -0.801 . . . . 3.1 110.821 -177.652 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo . . . . . 0 C--O 1.234 0.321 0 CA-C-O 120.712 0.213 . . . . 5.2 112.638 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.51 70.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.409 -0.36 . . . . 3.54 111.128 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.3 tpt -67.2 -39.74 86.37 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.102 0.477 . . . . 5.05 110.421 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 2.0 tmt? -66.9 -37.97 85.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 3.62 109.963 177.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.59 81.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 2.32 110.563 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.84 72.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 1.81 110.264 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.67 -35.8 73.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 1.68 109.87 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 323' ' ' MET . 15.9 mm100 -58.36 -38.3 76.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.194 0.309 . . . . 2.56 111.45 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.31 -45.07 68.83 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.978 0.894 . . . . 0.98 110.281 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.24 24.67 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.346 -1.297 . . . . 0.92 109.944 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.66 -8.15 49.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 113.738 -1.573 . . . . 1.59 111.292 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.79 -30.44 14.2 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.378 0.51 . . . . 2.41 112.378 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.0 t -74.99 -44.92 45.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.948 0.404 . . . . 1.46 110.406 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.9 m -83.63 -46.94 11.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 1.39 111.25 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -88.81 -39.17 14.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.758 0.313 . . . . 3.18 110.676 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.88 74.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.159 -0.543 . . . . 0.83 113.288 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.42 -22.69 62.7 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.659 -0.318 . . . . 2.31 110.852 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.4 ttp -54.91 -46.74 74.89 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.706 0.288 . . . . 3.15 110.675 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.45 94.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.9 -0.667 . . . . 0.66 111.973 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.334 0.588 . . . . 2.55 110.159 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.37 -46.94 68.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.806 -1.088 . . . . 1.76 110.514 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.57 71.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.527 -0.76 . . . . 0.88 111.545 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 46.8 t -68.71 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.61 111.026 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.69 -15.09 60.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 2.89 111.124 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 115.565 -0.743 . . . . 3.1 110.632 -178.473 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.649 0.187 . . . . 5.2 112.063 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.93 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 3.54 111.356 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.29 -41.36 81.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 5.05 110.804 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.1 -35.85 80.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 3.62 110.621 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.77 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 2.32 110.711 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.88 85.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.125 0.488 . . . . 1.81 109.985 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 326' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -66.06 -48.4 71.14 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.313 -0.858 . . . . 1.68 110.015 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.493 ' HA ' ' OE1' ' A' ' 327' ' ' GLN . 5.1 tp60 -56.29 -45.96 79.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 2.56 111.375 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.88 88.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.98 110.878 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.4 -49.11 11.91 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.221 -0.899 . . . . 0.92 110.721 -170.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 25.2 mt -67.48 -6.7 20.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.452 -1.249 . . . . 1.59 111.052 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -51.5 -27.84 11.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.045 0.45 . . . . 2.41 111.221 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.4 t -61.47 -46.61 89.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.564 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.8 m -86.01 -43.48 13.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 1.39 111.263 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -85.35 -41.01 15.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 3.18 110.725 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -65.04 -28.01 72.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.243 -0.503 . . . . 0.83 112.668 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.7 tpp -60.09 -23.72 64.03 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 120.241 0.067 . . . . 2.31 111.16 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.44 -40.85 88.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 3.15 110.291 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.17 -34.68 29.06 Favored Glycine 0 CA--C 1.505 -0.565 0 C-N-CA 121.026 -0.606 . . . . 0.66 112.084 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 71.8 mtp -63.66 -43.46 96.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.263 0.554 . . . . 2.55 109.804 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.11 -46.26 74.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.976 -1.011 . . . . 1.76 109.334 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.18 79.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.418 -0.81 . . . . 0.88 111.448 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 67.8 m -70.56 -45.23 65.83 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 1.61 110.556 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.42 -34.21 77.45 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.878 -0.601 . . . . 2.89 110.588 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.484 0.659 . . . . 3.1 110.599 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 CA-C-O 121.163 0.401 . . . . 5.2 112.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.792 -0.64 . . . . 3.54 110.986 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.4 ttt -60.02 -43.02 95.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.917 -0.583 . . . . 5.05 110.986 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -64.07 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 3.62 110.238 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.24 79.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.763 -0.653 . . . . 2.32 110.661 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.02 76.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 1.81 110.509 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 326' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -68.48 -36.22 78.64 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.695 -0.684 . . . . 1.68 110.194 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.39 -50.24 70.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.238 0.542 . . . . 2.56 111.547 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.56 84.27 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.344 -0.844 . . . . 0.98 110.295 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.97 -34.3 33.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.366 -1.288 . . . . 0.92 110.295 -170.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.1 tp -69.16 -4.61 18.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.011 -1.449 . . . . 1.59 110.807 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -42.88 -29.88 0.36 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.483 0.92 . . . . 2.41 113.483 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 p -60.72 -47.84 84.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.061 0.458 . . . . 1.46 111.186 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 9.6 p -96.0 -45.16 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.177 -0.465 . . . . 1.39 111.424 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.016 0.436 . . . . 3.18 110.942 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -68.95 -28.92 72.6 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.641 -0.79 . . . . 0.83 112.42 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 tpp -66.84 -23.76 66.07 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.796 -0.238 . . . . 2.31 111.012 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 52.5 ttp -56.52 -46.23 80.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 3.15 110.233 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -69.93 -39.76 74.68 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.826 -0.702 . . . . 0.66 111.851 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.551 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 21.0 mmt -60.76 -42.91 98.39 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.123 0.487 . . . . 2.55 109.942 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.74 -46.04 80.35 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.082 -0.963 . . . . 1.76 110.541 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.86 74.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.443 -0.799 . . . . 0.88 111.169 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 68.7 m -68.72 -24.55 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 1.61 110.629 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 339' ' ' MET . 52.5 mt-30 -75.65 -13.95 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 2.89 111.174 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 CA--C 1.52 -0.192 0 CA-C-N 115.294 -0.866 . . . . 3.1 110.16 -172.675 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 N--CA 1.472 0.239 0 N-CA-C 112.754 0.251 . . . . 5.2 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.37 90.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.929 0.395 . . . . 3.54 110.235 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 38.9 tpp -65.47 -42.94 91.73 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.759 -0.655 . . . . 5.05 110.21 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.69 -38.9 82.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.036 0.446 . . . . 3.62 111.034 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.93 58.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 2.32 110.727 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.7 76.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.868 -0.605 . . . . 1.81 110.353 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 326' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -67.7 -48.34 66.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.001 -0.545 . . . . 1.68 109.943 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -55.83 -51.12 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.239 0.542 . . . . 2.56 110.691 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.53 95.44 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 114.845 -1.071 . . . . 0.98 110.456 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.44 -34.81 31.26 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.938 -1.028 . . . . 0.92 110.312 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.9 mt -69.01 -6.12 25.97 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.66 -1.609 . . . . 1.59 111.202 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -52.33 -25.51 9.81 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.206 0.316 . . . . 2.41 111.592 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.6 p -60.22 -45.63 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 1.46 110.79 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 -46.33 11.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.662 -0.699 . . . . 1.39 110.858 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -87.4 -49.8 6.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 3.18 111.697 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' GLY . . . . . 0.577 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -64.02 -43.64 97.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.673 -0.775 . . . . 0.83 112.462 -175.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.1 tpp -68.77 -24.22 64.4 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 121.247 -0.181 . . . . 2.31 110.653 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 48.4 ttm -58.13 -44.28 87.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 3.15 109.781 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -75.56 -38.13 38.67 Favored Glycine 0 C--O 1.22 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.66 112.116 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 61.2 mtt -61.39 -42.24 98.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 117.505 0.653 . . . . 2.55 110.21 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.42 -45.67 79.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.585 -0.734 . . . . 1.76 110.07 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.04 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.54 -0.755 . . . . 0.88 110.828 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.1 t -70.44 -30.57 67.45 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.238 -0.437 . . . . 1.61 110.072 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -73.05 -21.4 60.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.787 -0.642 . . . . 2.89 110.058 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 115.666 -0.697 . . . . 3.1 110.689 176.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.718 -0.475 . . . . 19.56 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 72.93 136.32 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.718 0.636 . . . . 17.09 110.71 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -81.58 163.61 22.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.6 -0.727 . . . . 17.76 111.506 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -82.65 81.15 1.74 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.651 -0.704 . . . . 14.3 111.79 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.86 -62.81 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 12.65 111.448 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -108.68 -15.33 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.345 0.593 . . . . 12.67 109.888 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 13.5 t -74.42 118.25 17.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 10.38 110.009 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 34.5 pt -130.43 165.3 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 7.73 110.816 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.433 ' HB3' ' HD2' ' A' ' 320' ' ' PRO . 19.5 m120 -106.63 158.09 33.56 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.625 -0.716 . . . . 7.58 109.328 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 319' ' ' ASN . 58.7 Cg_endo -71.41 46.27 0.74 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.164 2.576 . . . . 5.2 113.81 -176.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -80.8 -36.88 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.086 0.469 . . . . 3.54 110.039 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.42 -38.0 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 5.05 110.234 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.8 mtp -59.48 -36.51 76.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 3.62 110.739 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.58 66.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.784 -0.644 . . . . 2.32 110.813 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.78 -33.34 74.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.359 0.599 . . . . 1.81 110.177 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -72.24 -35.36 68.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.68 109.535 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -61.51 -48.72 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 2.56 110.348 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.87 -36.83 70.53 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 115.215 -0.902 . . . . 0.98 110.141 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.8 31.95 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.607 -1.178 . . . . 0.92 109.877 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 0.9 OUTLIER -71.3 -8.25 52.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.61 -1.632 . . . . 1.59 111.065 176.436 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.56 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 52.2 tt0 -52.24 -29.18 21.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.831 -0.622 . . . . 2.41 111.75 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.2 p -54.07 -52.04 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.16 0.505 . . . . 1.46 111.332 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 337' ' ' MET . 49.9 m -88.37 -46.38 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.841 -0.618 . . . . 1.39 111.318 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -87.0 -47.45 8.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.741 0.305 . . . . 3.18 111.653 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' GLY . . . . . 0.56 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -63.16 -44.35 97.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.83 112.742 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.55 -23.7 60.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.984 -0.287 . . . . 2.31 110.541 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 333' ' ' SER . 27.3 ttt -59.02 -48.15 82.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 3.15 110.108 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.16 97.85 Favored Glycine 0 C--O 1.225 -0.434 0 C-N-CA 120.863 -0.684 . . . . 0.66 111.939 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.14 -41.92 97.61 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.604 . . . . 2.55 110.211 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 5.8 tt -67.78 -46.07 73.07 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.062 -0.972 . . . . 1.76 109.714 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.3 65.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.88 112.113 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 77.2 p -70.34 -25.9 63.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.89 0.33 . . . . 1.61 111.89 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 340' ' ' LEU . 3.6 pt20 -75.5 -16.3 60.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.253 0.549 . . . . 2.89 110.055 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 59.66 65.69 1.11 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.723 -1.126 . . . . 3.1 110.869 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -68.86 -19.2 64.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.239 -0.891 . . . . 4.89 109.802 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -61.35 -26.14 67.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.784 -1.098 . . . . 6.02 110.113 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 20.0 m 72.98 107.79 0.07 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.078 -0.965 . . . . 5.05 110.887 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -70.62 -54.47 10.11 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.675 -0.693 . . . . 7.18 112.656 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.65 130.31 38.07 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.512 2.141 . . . . 8.09 111.729 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 12.8 t -79.79 -20.65 45.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.954 -0.566 . . . . 8.86 110.387 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -82.44 -88.49 0.69 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.787 -0.72 . . . . 10.03 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.86 -62.21 0.3 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.136 0.575 . . . . 11.08 111.281 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -78.81 68.57 4.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.412 -0.958 . . . . 12.07 108.412 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -140.55 140.39 35.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.086 -0.961 . . . . 13.09 108.972 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -65.0 -40.53 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 14.53 111.596 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -131.85 125.25 31.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.694 -0.484 . . . . 16.15 109.694 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 162.92 72.89 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.208 -0.996 . . . . 15.86 113.046 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.31 16.63 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.983 -0.747 . . . . 17.9 108.983 175.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.9 mmt 63.41 25.75 14.68 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.137 -0.938 . . . . 18.48 110.897 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.032 -0.985 . . . . 19.85 109.681 177.062 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.644 0.259 . . . . 19.56 110.354 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -126.07 -12.15 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.034 0.445 . . . . 17.09 111.018 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -126.17 118.86 26.08 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.08 -0.711 . . . . 17.76 109.08 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -165.5 89.53 0.1 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.516 -0.849 . . . . 14.3 112.231 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -146.97 141.49 26.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.194 -0.669 . . . . 12.65 109.194 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 63.98 -175.28 0.16 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.783 0.677 . . . . 12.67 110.584 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.0 m -101.65 58.58 0.85 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.153 0.502 . . . . 10.38 109.888 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.5 pp -112.34 18.9 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.052 -0.522 . . . . 7.73 112.063 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 27.5 p-10 -84.91 134.75 40.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.838 -0.43 . . . . 7.58 109.838 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 43.1 Cg_exo -58.28 132.39 48.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 5.2 112.378 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.22 -33.78 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.48 -0.782 . . . . 3.54 111.462 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.5 tpt -59.47 -44.89 92.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 5.05 110.649 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.51 -35.91 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 3.62 110.7 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.28 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.535 . . . . 2.32 110.451 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.57 90.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 1.81 110.314 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -60.23 -44.69 95.0 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.798 -0.637 . . . . 1.68 110.605 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 331' ' ' GLN . 6.2 tp60 -56.86 -50.77 71.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.101 0.477 . . . . 2.56 111.069 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.24 99.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 115.246 -0.888 . . . . 0.98 110.319 -177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.1 -49.75 10.48 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-N 114.561 -1.199 . . . . 0.92 110.994 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.1 mm? -71.08 -8.9 56.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.837 -1.074 . . . . 1.59 111.041 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 327' ' ' GLN . 20.4 tt0 -52.23 -29.0 20.67 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.299 -0.41 . . . . 2.41 111.606 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 30.3 t -61.93 -48.22 81.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 1.46 110.922 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 8.6 p -91.39 -45.85 8.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 1.39 111.58 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -86.36 -44.4 12.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.462 -0.336 . . . . 3.18 111.266 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.59 -34.41 88.95 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.764 -0.732 . . . . 0.83 112.775 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' MET . . . . . 0.647 ' HG3' ' HG ' ' A' ' 340' ' ' LEU . 14.2 tpt -68.83 -22.56 64.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.807 -0.231 . . . . 2.31 111.097 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.8 mmt -53.58 -45.72 70.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.804 0.335 . . . . 3.15 111.012 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.53 -38.04 93.08 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.897 -0.668 . . . . 0.66 112.079 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.12 -42.62 96.78 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.2 0.524 . . . . 2.55 109.786 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.647 ' HG ' ' HG3' ' A' ' 336' ' ' MET . 90.1 mt -66.13 -46.4 77.66 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.365 -0.834 . . . . 1.76 110.387 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.72 73.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.42 -0.809 . . . . 0.88 111.766 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.7 p -71.84 -32.96 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.47 . . . . 1.61 110.942 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.27 -37.9 74.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.748 -0.66 . . . . 2.89 111.234 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 66.16 12.52 8.59 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.32 -0.854 . . . . 3.1 112.555 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -70.33 -21.89 62.86 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.544 0.688 . . . . 4.89 110.057 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.458 ' H ' ' HG3' ' A' ' 346' ' ' GLN . 0.0 OUTLIER -65.44 -24.54 67.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.07 -0.968 . . . . 6.02 111.052 177.358 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.5 t 72.14 36.83 1.06 Allowed 'General case' 0 N--CA 1.46 0.064 0 CA-C-N 115.142 -0.935 . . . . 5.05 111.101 172.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.67 18.63 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.521 -0.847 . . . . 7.18 111.519 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.14 166.67 28.56 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.281 1.987 . . . . 8.09 111.507 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 6.5 m -70.0 -19.53 63.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.295 0.569 . . . . 8.86 110.387 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 87.77 -64.19 3.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.285 -0.726 . . . . 10.03 111.285 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -167.5 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.961 -0.385 . . . . 11.08 109.961 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 64.5 t30 50.34 49.78 19.97 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.795 0.807 . . . . 12.07 109.56 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -154.17 -70.9 0.13 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.112 -0.949 . . . . 13.09 110.419 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -85.64 -30.18 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 14.53 110.434 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 356' ' ' GLN . 6.2 tp60 63.09 107.52 0.03 OUTLIER 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.813 0.696 . . . . 16.15 112.751 174.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -87.11 156.48 28.46 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.024 -0.83 . . . . 15.86 111.024 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -133.81 179.59 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.886 0.343 . . . . 17.9 111.357 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 87.8 mmm 65.34 81.97 0.19 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.25 -0.886 . . . . 18.48 111.441 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.694 -0.669 . . . . 19.85 109.265 174.548 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 61.9 ttp . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.669 0.271 . . . . 19.56 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -162.22 99.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.213 -0.449 . . . . 17.09 109.863 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 40.7 t80 58.59 59.64 2.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.678 0.751 . . . . 17.76 109.672 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -93.02 117.21 5.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.309 -0.859 . . . . 14.3 112.147 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -138.87 -164.77 1.71 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.637 -0.505 . . . . 12.65 109.637 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -60.09 -33.62 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 12.67 110.815 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 23.3 t -84.22 72.08 10.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.237 0.541 . . . . 10.38 110.403 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.52 -48.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.575 . . . . 7.73 109.685 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.469 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 8.8 p30 -133.72 146.74 61.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 7.58 110.101 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.652 ' O ' ' HG3' ' A' ' 323' ' ' MET . 22.0 Cg_exo -65.56 -10.3 25.82 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.474 2.783 . . . . 5.2 113.375 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.442 ' HB3' ' OD1' ' A' ' 319' ' ' ASN . . . -63.86 -29.11 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.543 0.211 . . . . 3.54 110.785 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 41.7 ttp -64.78 -47.65 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.488 -0.324 . . . . 5.05 110.64 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' ' 320' ' ' PRO . 0.0 OUTLIER -66.8 -34.32 77.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.379 . . . . 3.62 109.984 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.69 91.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 2.32 110.777 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.59 75.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.533 . . . . 1.81 110.254 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.72 -34.01 74.92 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.484 -0.78 . . . . 1.68 110.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.72 -48.55 63.53 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.685 0.615 . . . . 2.56 112.088 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.99 65.56 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.913 0.863 . . . . 0.98 109.93 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.45 -34.22 31.58 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 114.25 -1.341 . . . . 0.92 109.717 -175.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.89 -6.92 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.968 -1.469 . . . . 1.59 110.443 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.781 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 34.5 tt0 -48.21 -27.95 2.73 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.651 -0.704 . . . . 2.41 111.984 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.3 p -52.46 -47.78 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 1.46 110.843 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 14.8 m -91.02 -46.52 8.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.955 -0.566 . . . . 1.39 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -86.57 -49.95 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.222 -0.444 . . . . 3.18 111.797 -170.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' GLY . . . . . 0.781 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -67.43 -27.84 73.58 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.137 -0.554 . . . . 0.83 112.549 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 42.2 ttp -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.457 0.303 . . . . 2.31 111.526 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 59.4 ttp -51.48 -50.2 60.32 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.833 0.349 . . . . 3.15 110.812 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -70.92 -35.52 65.29 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.811 -0.709 . . . . 0.66 112.19 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 69.2 mtp -62.75 -42.53 99.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.393 0.615 . . . . 2.55 109.794 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 60.4 tp -72.45 -39.64 67.66 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.022 -0.99 . . . . 1.76 110.045 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.71 -34.71 74.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.745 -0.661 . . . . 0.88 111.105 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 49.5 m -70.45 -42.71 71.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 1.61 110.38 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 6.3 tp-100 -71.65 -17.84 62.23 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.484 0.659 . . . . 2.89 109.812 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 343' ' ' GLN . 79.7 mt-30 76.89 131.4 0.05 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.246 -1.343 . . . . 3.1 111.185 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -91.03 22.24 3.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.639 1.209 . . . . 4.89 108.482 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -58.01 -33.87 69.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.527 -1.669 . . . . 6.02 109.903 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.3 m 52.74 72.49 0.41 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.6 -0.727 . . . . 5.05 111.577 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -60.64 -54.73 34.61 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.927 -0.654 . . . . 7.18 112.653 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.08 113.7 3.85 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.45 2.1 . . . . 8.09 111.555 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 23.1 t -87.44 -30.63 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.399 0.618 . . . . 8.86 109.59 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 87.95 -75.89 2.02 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.03 111.869 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -151.12 -55.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 11.08 110.404 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -156.67 131.11 8.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 12.07 109.91 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -127.2 93.45 3.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 13.09 110.972 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ASN . . . . . 0.4 ' HB2' ' H ' ' A' ' 356' ' ' GLN . 5.2 m120 -95.2 -79.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.358 -0.608 . . . . 14.53 109.358 175.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLN . . . . . 0.4 ' H ' ' HB2' ' A' ' 355' ' ' ASN . 95.6 mt-30 -109.53 -9.65 14.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.498 -0.774 . . . . 16.15 109.819 175.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -80.7 76.51 2.11 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.826 -0.625 . . . . 15.86 111.703 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -68.86 -76.44 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 17.9 110.096 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.7 mmt -116.09 -6.25 11.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.559 . . . . 18.48 109.557 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 . . . . . 0 C--O 1.247 0.932 0 N-CA-C 108.602 -0.888 . . . . 19.85 108.602 -177.678 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.731 0.301 . . . . 19.56 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -145.46 136.45 24.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.353 . . . . 17.09 110.328 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -160.35 172.59 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.732 -0.667 . . . . 17.76 109.538 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 109.45 -34.0 5.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.702 -0.761 . . . . 14.3 112.288 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -135.88 -173.59 3.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.696 -0.483 . . . . 12.65 109.696 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -76.49 -84.9 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.765 0.317 . . . . 12.67 110.774 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.0 m -121.95 -28.82 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.491 -0.322 . . . . 10.38 111.032 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' ILE . . . . . 0.702 HG22 ' HD3' ' A' ' 320' ' ' PRO . 4.1 mp -89.37 103.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.26 -0.645 . . . . 7.73 109.26 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 322' ' ' MET . 3.0 m-20 -124.38 64.73 38.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.459 . . . . 7.58 110.95 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.702 ' HD3' HG22 ' A' ' 318' ' ' ILE . 25.6 Cg_endo -63.64 -52.07 2.08 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.399 2.066 . . . . 5.2 112.731 -174.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.13 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.959 0.409 . . . . 3.54 110.686 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' MET . . . . . 0.686 ' HB2' ' HB3' ' A' ' 319' ' ' ASN . 23.9 mmt -67.21 -37.82 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 5.05 110.395 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 319' ' ' ASN . 68.1 mtt -65.81 -36.63 84.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.374 -0.375 . . . . 3.62 110.459 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.8 74.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 2.32 110.787 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.07 83.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.061 -0.518 . . . . 1.81 110.142 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 326' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -65.1 -48.72 72.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.735 -0.666 . . . . 1.68 109.626 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -50.36 70.38 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.201 0.524 . . . . 2.56 111.274 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.21 89.54 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.117 -0.947 . . . . 0.98 110.474 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.45 19.59 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 114.861 -1.063 . . . . 0.92 111.167 -171.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 15.0 mt -70.94 -6.95 42.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.011 -0.995 . . . . 1.59 111.399 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -50.19 -29.89 10.29 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.049 0.54 . . . . 2.41 112.275 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.7 m -61.57 -48.63 80.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 1.46 111.504 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 46.9 t -93.1 -46.53 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.857 0.361 . . . . 1.39 111.225 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -86.73 -37.17 18.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.37 . . . . 3.18 110.891 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -70.12 -28.93 70.95 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.83 112.021 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 ttm -67.67 -23.37 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.073 -0.075 . . . . 2.31 110.805 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.1 ttt -52.78 -49.11 66.23 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.643 0.258 . . . . 3.15 110.917 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.37 79.9 Favored Glycine 0 C--O 1.224 -0.487 0 C-N-CA 120.982 -0.628 . . . . 0.66 112.495 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.6 mmt -68.88 -42.83 76.45 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.338 0.589 . . . . 2.55 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.72 -46.85 70.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.09 -0.959 . . . . 1.76 109.85 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.46 74.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.369 -0.832 . . . . 0.88 110.906 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 25.5 t -67.53 -47.68 69.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.137 -0.69 . . . . 1.61 109.137 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.434 ' HA ' ' H ' ' A' ' 348' ' ' GLY . 76.8 mt-30 -67.43 -31.83 72.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.409 . . . . 2.89 110.238 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -60.83 -57.46 12.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 3.1 111.447 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -95.4 -55.78 2.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.261 0.553 . . . . 4.89 111.938 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -83.32 -28.23 29.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.669 -0.696 . . . . 6.02 111.788 -171.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.8 t 73.36 112.95 0.06 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.374 1.047 . . . . 5.05 109.393 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' A' ' 343' ' ' GLN . . . -59.87 -54.04 40.83 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.451 -0.795 . . . . 7.18 111.753 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.45 131.76 23.93 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.038 1.825 . . . . 8.09 109.443 164.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 52.6 m -63.02 -20.95 65.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 8.86 111.638 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 101.43 116.71 4.11 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.586 -0.816 . . . . 10.03 112.826 173.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -95.73 -25.69 15.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.379 -0.601 . . . . 11.08 109.379 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -165.31 -73.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.566 -0.743 . . . . 12.07 109.719 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 48.09 44.4 19.05 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.65 -0.705 . . . . 13.09 111.61 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -138.92 -49.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 14.53 109.799 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 59.12 63.07 1.69 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.352 0.596 . . . . 16.15 110.953 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -119.72 118.87 4.06 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.967 -0.853 . . . . 15.86 110.967 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -120.81 123.39 42.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.915 0.388 . . . . 17.9 111.062 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 28.2 ttt -102.7 -38.87 7.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.53 . . . . 18.48 109.821 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.985 -1.007 . . . . 19.85 111.425 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.655 0.264 . . . . 19.56 110.615 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 60.25 25.33 14.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.021 -0.536 . . . . 17.09 110.617 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -108.87 94.74 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.81 -0.632 . . . . 17.76 109.764 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 158.97 -125.62 1.54 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.606 -0.998 . . . . 14.3 110.606 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.88 116.39 5.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.354 -0.61 . . . . 12.65 109.354 173.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -84.56 15.25 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 12.67 111.812 -172.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 21.5 m -74.57 64.46 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.897 -0.779 . . . . 10.38 108.897 168.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 68.2 mt -79.04 118.69 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 7.73 111.714 -171.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -95.73 96.93 2.53 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.528 -0.915 . . . . 7.58 108.528 169.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 323' ' ' MET . 38.2 Cg_endo -65.84 140.11 59.81 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.885 2.39 . . . . 5.2 112.988 -170.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.13 -22.39 28.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.922 -1.035 . . . . 3.54 110.933 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.9 mtt -53.05 -33.75 53.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.538 -0.756 . . . . 5.05 111.749 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 26.1 ptt? -66.52 -35.59 80.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.117 0.484 . . . . 3.62 110.484 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.27 42.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.868 -0.606 . . . . 2.32 110.259 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.839 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.83 -46.75 64.94 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.477 -0.783 . . . . 1.68 109.403 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.02 -48.81 67.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 123.79 0.681 . . . . 2.56 111.473 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.66 62.69 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 115.194 -0.912 . . . . 0.98 110.202 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.8 30.02 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 114.422 -1.263 . . . . 0.92 110.149 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.22 -6.11 12.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.69 -1.595 . . . . 1.59 110.608 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' H ' ' A' ' 335' ' ' GLY . 29.9 pt20 -46.93 -28.55 1.65 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.529 0.732 . . . . 2.41 112.769 -176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.0 t -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.096 0.474 . . . . 1.46 110.519 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 34.4 t -92.18 -47.61 7.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 1.39 111.266 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -88.4 -50.37 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.945 0.35 . . . . 3.18 111.945 -173.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 331' ' ' GLN . . . -64.48 -40.71 97.92 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.751 -0.738 . . . . 0.83 112.591 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 43.6 ttm -61.07 -27.17 68.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.164 0.186 . . . . 2.31 111.396 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.8 ttp -54.97 -43.94 73.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.191 0.52 . . . . 3.15 109.857 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.03 -46.88 6.84 Favored Glycine 0 C--O 1.222 -0.635 0 CA-C-N 115.566 -0.743 . . . . 0.66 112.339 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 56.7 mtt -60.41 -43.95 96.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.101 0.477 . . . . 2.55 111.222 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.36 -36.68 66.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.422 0.629 . . . . 1.76 109.783 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.96 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.169 -0.923 . . . . 0.88 111.157 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.4 m -69.57 -34.96 74.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 1.61 111.206 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -75.18 -15.74 60.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.968 0.413 . . . . 2.89 110.799 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 63.91 60.18 1.06 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.327 -0.852 . . . . 3.1 110.791 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -68.93 -8.02 40.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.603 -0.726 . . . . 4.89 110.293 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 350' ' ' SER . 85.0 mm-40 -59.68 -28.51 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 6.02 109.926 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 14.2 m 67.31 -174.08 0.19 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.246 -0.888 . . . . 5.05 111.993 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -79.18 -55.6 3.7 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 120.419 -0.896 . . . . 7.18 111.869 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.82 72.5 6.49 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.796 2.331 . . . . 8.09 110.7 170.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 346' ' ' GLN . 21.4 t -64.79 -24.01 67.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.651 -0.704 . . . . 8.86 112.025 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -171.73 36.27 0.16 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.569 -0.824 . . . . 10.03 111.658 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.65 53.85 2.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.628 0.251 . . . . 11.08 110.763 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.28 69.24 0.75 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.653 0.74 . . . . 12.07 110.383 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -97.85 68.05 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.654 0.74 . . . . 13.09 110.2 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -88.12 13.36 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 14.53 111.791 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 66.31 88.58 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.732 0.645 . . . . 16.15 111.098 -177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 127.08 39.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.977 -0.63 . . . . 15.86 111.998 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 16.9 m120 65.12 13.29 8.61 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.959 0.504 . . . . 17.9 110.744 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.34 34.97 24.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.434 -0.803 . . . . 18.48 111.229 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.276 -0.869 . . . . 19.85 109.679 176.794 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.69 0.281 . . . . 19.56 111.055 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -88.07 110.65 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 17.09 110.242 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.08 118.71 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.867 -0.606 . . . . 17.76 111.034 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 179.58 -158.24 21.9 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.461 -0.656 . . . . 14.3 111.461 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -77.87 91.73 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.954 0.377 . . . . 12.65 110.5 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -66.28 -60.08 3.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.865 -0.607 . . . . 12.67 111.855 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 17.9 p -97.45 -99.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 10.38 112.126 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' ILE . . . . . 0.527 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 47.2 mt -121.62 145.64 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 7.73 110.85 -172.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -99.23 94.34 2.66 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 108.99 -0.744 . . . . 7.58 108.99 171.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 96.3 Cg_endo -85.28 53.24 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.832 2.354 . . . . 5.2 112.736 -172.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.265 -0.425 . . . . 3.54 111.02 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.0 ptm -75.37 -35.34 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 5.05 110.717 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.621 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 24.0 mmt -66.88 -37.01 83.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.03 0.443 . . . . 3.62 110.558 -178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.87 84.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.619 . . . . 2.32 110.368 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.09 77.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.81 109.994 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -63.89 -48.6 75.98 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.738 -0.664 . . . . 1.68 109.52 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 323' ' ' MET . 11.9 mm100 -57.01 -48.92 77.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.995 0.426 . . . . 2.56 111.052 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.36 95.29 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.438 -0.801 . . . . 0.98 110.842 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.28 26.2 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.938 -1.028 . . . . 0.92 110.758 -172.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.4 tp -71.63 -10.31 59.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.612 -1.176 . . . . 1.59 110.309 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -52.04 -28.91 18.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.562 -0.744 . . . . 2.41 112.102 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 p -59.48 -48.04 83.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.053 0.454 . . . . 1.46 111.164 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 337' ' ' MET . 30.6 t -88.67 -46.12 9.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.028 -0.533 . . . . 1.39 110.901 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -86.03 -29.75 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.049 -0.523 . . . . 3.18 111.454 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -63.66 -43.88 97.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.765 -0.731 . . . . 0.83 112.418 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.16 -28.02 66.93 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.933 -0.307 . . . . 2.31 111.03 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 333' ' ' SER . 24.7 mmt -57.69 -47.79 81.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 3.15 110.067 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.31 76.07 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-N 115.725 -0.671 . . . . 0.66 112.048 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 62.0 mtt -60.49 -43.02 97.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 117.703 0.751 . . . . 2.55 110.514 -178.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.9 -46.7 80.61 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.379 -0.828 . . . . 1.76 109.94 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.76 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.113 -0.949 . . . . 0.88 111.935 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 58.1 p -70.75 -34.76 72.19 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.725 0.298 . . . . 1.61 111.379 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -73.17 -15.04 61.47 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.179 -0.464 . . . . 2.89 111.259 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 66.32 46.49 1.98 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.438 -0.801 . . . . 3.1 110.821 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.75 -27.63 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.347 0.594 . . . . 4.89 109.991 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -65.87 -28.46 68.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.054 -0.976 . . . . 6.02 110.381 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 49.5 m -104.21 15.41 28.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 5.05 110.785 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.62 41.69 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.897 -0.592 . . . . 7.18 112.774 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 5.41 4.5 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.467 2.111 . . . . 8.09 113.012 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 47.4 t -75.34 -21.41 58.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 8.86 110.584 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -159.1 -155.5 7.67 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.7 -0.762 . . . . 10.03 111.566 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -105.66 128.36 53.61 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 110.078 -0.342 . . . . 11.08 110.078 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.01 109.34 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.414 -0.588 . . . . 12.07 109.414 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.511 ' H ' ' CD ' ' A' ' 354' ' ' GLN . 0.4 OUTLIER -86.91 31.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.154 0.798 . . . . 13.09 113.154 -166.448 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -176.0 108.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.49 -0.189 . . . . 14.53 110.49 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 68.5 39.36 2.16 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.988 0.805 . . . . 16.15 110.395 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -154.1 35.29 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 15.86 112.264 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.19 164.59 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.272 -0.64 . . . . 17.9 109.272 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.44 29.5 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.86 0.362 . . . . 18.48 110.816 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.714 -0.66 . . . . 19.85 109.931 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 121.021 0.438 . . . . 19.56 109.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -103.21 68.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.057 0.456 . . . . 17.09 111.253 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -110.57 23.53 14.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.761 0.791 . . . . 17.76 109.44 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -151.09 104.78 0.27 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.704 -1.135 . . . . 14.3 110.532 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -67.53 -76.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.587 0.232 . . . . 12.65 111.397 -174.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.62 -81.24 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.488 -0.56 . . . . 12.67 109.488 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.8 t -78.95 109.13 12.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.413 -0.588 . . . . 10.38 109.413 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 10.9 tt -62.37 -33.57 59.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.048 -0.524 . . . . 7.73 111.012 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.464 ' HA ' ' HD2' ' A' ' 320' ' ' PRO . 28.4 m120 -134.85 113.03 11.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.285 -0.416 . . . . 7.58 109.896 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 319' ' ' ASN . 14.2 Cg_endo -57.61 -18.33 32.33 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.418 2.745 . . . . 5.2 112.638 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.51 70.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.409 -0.36 . . . . 3.54 111.128 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.3 tpt -67.2 -39.74 86.37 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.102 0.477 . . . . 5.05 110.421 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 2.0 tmt? -66.9 -37.97 85.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 3.62 109.963 177.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.59 81.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 2.32 110.563 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.84 72.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 1.81 110.264 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.67 -35.8 73.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 1.68 109.87 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 323' ' ' MET . 15.9 mm100 -58.36 -38.3 76.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.194 0.309 . . . . 2.56 111.45 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.31 -45.07 68.83 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.978 0.894 . . . . 0.98 110.281 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.24 24.67 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.346 -1.297 . . . . 0.92 109.944 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.66 -8.15 49.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 113.738 -1.573 . . . . 1.59 111.292 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.79 -30.44 14.2 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.378 0.51 . . . . 2.41 112.378 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.0 t -74.99 -44.92 45.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.948 0.404 . . . . 1.46 110.406 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.9 m -83.63 -46.94 11.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 1.39 111.25 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -88.81 -39.17 14.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.758 0.313 . . . . 3.18 110.676 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.88 74.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.159 -0.543 . . . . 0.83 113.288 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.42 -22.69 62.7 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.659 -0.318 . . . . 2.31 110.852 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.4 ttp -54.91 -46.74 74.89 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.706 0.288 . . . . 3.15 110.675 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.45 94.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.9 -0.667 . . . . 0.66 111.973 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.334 0.588 . . . . 2.55 110.159 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.37 -46.94 68.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.806 -1.088 . . . . 1.76 110.514 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.57 71.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.527 -0.76 . . . . 0.88 111.545 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 46.8 t -68.71 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.61 111.026 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.69 -15.09 60.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 2.89 111.124 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 65.0 53.34 1.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.565 -0.743 . . . . 3.1 110.632 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -74.47 1.07 12.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.405 -0.816 . . . . 4.89 110.322 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -63.54 -28.04 69.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.063 -0.971 . . . . 6.02 110.089 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 21.3 m 50.16 65.48 1.42 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.607 0.567 . . . . 5.05 110.676 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -70.01 -55.45 9.31 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.753 -0.658 . . . . 7.18 113.89 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.54 103.41 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.348 2.032 . . . . 8.09 112.793 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 18.1 m -87.18 -22.95 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 8.86 109.416 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -95.74 107.21 3.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.568 -0.742 . . . . 10.03 111.39 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -91.94 179.88 5.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.857 0.361 . . . . 11.08 111.162 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -83.2 150.44 26.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 12.07 110.868 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.63 -166.77 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.742 -0.663 . . . . 13.09 109.769 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 59.28 33.7 22.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.334 0.588 . . . . 14.53 110.404 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -175.44 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.379 -0.971 . . . . 16.15 108.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -95.87 74.54 0.83 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.117 -1.193 . . . . 15.86 110.117 170.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.29 112.39 0.87 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 17.9 110.931 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 46.0 tpp -96.98 125.53 41.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.597 -0.728 . . . . 18.48 111.041 -171.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.726 -0.654 . . . . 19.85 110.415 177.388 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.838 0.351 . . . . 19.56 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -85.94 161.03 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.175 -0.306 . . . . 17.09 110.175 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -119.82 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.209 0.528 . . . . 17.76 110.584 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 86.17 40.4 7.49 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.725 -0.75 . . . . 14.3 112.297 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -120.49 -1.8 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.543 0.211 . . . . 12.65 110.716 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 66.7 t80 64.11 -85.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.67 -0.696 . . . . 12.67 110.988 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 75.2 m -160.04 -89.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.496 -0.32 . . . . 10.38 110.427 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 29.8 mm -126.9 84.49 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.086 0.469 . . . . 7.73 110.286 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -135.8 70.88 64.63 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.4 -0.364 . . . . 7.58 111.251 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.42 -36.8 92.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.805 2.337 . . . . 5.2 112.063 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.93 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 3.54 111.356 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.29 -41.36 81.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 5.05 110.804 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.1 -35.85 80.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 3.62 110.621 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.77 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 2.32 110.711 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.88 85.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.125 0.488 . . . . 1.81 109.985 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 326' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -66.06 -48.4 71.14 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.313 -0.858 . . . . 1.68 110.015 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.493 ' HA ' ' OE1' ' A' ' 327' ' ' GLN . 5.1 tp60 -56.29 -45.96 79.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 2.56 111.375 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.88 88.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.98 110.878 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.4 -49.11 11.91 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.221 -0.899 . . . . 0.92 110.721 -170.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 25.2 mt -67.48 -6.7 20.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.452 -1.249 . . . . 1.59 111.052 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -51.5 -27.84 11.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.045 0.45 . . . . 2.41 111.221 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.4 t -61.47 -46.61 89.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.564 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.8 m -86.01 -43.48 13.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 1.39 111.263 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -85.35 -41.01 15.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 3.18 110.725 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -65.04 -28.01 72.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.243 -0.503 . . . . 0.83 112.668 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.7 tpp -60.09 -23.72 64.03 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 120.241 0.067 . . . . 2.31 111.16 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.44 -40.85 88.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 3.15 110.291 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.17 -34.68 29.06 Favored Glycine 0 CA--C 1.505 -0.565 0 C-N-CA 121.026 -0.606 . . . . 0.66 112.084 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 71.8 mtp -63.66 -43.46 96.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.263 0.554 . . . . 2.55 109.804 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.11 -46.26 74.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.976 -1.011 . . . . 1.76 109.334 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.18 79.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.418 -0.81 . . . . 0.88 111.448 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 67.8 m -70.56 -45.23 65.83 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 1.61 110.556 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.42 -34.21 77.45 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.878 -0.601 . . . . 2.89 110.588 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 68.8 109.13 0.05 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.484 0.659 . . . . 3.1 110.599 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -67.72 -24.64 65.4 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.286 -0.87 . . . . 4.89 110.829 -171.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.9 -37.55 76.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.875 -0.602 . . . . 6.02 110.057 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m 60.22 15.92 5.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.018 -0.992 . . . . 5.05 112.365 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -61.02 -53.8 42.08 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.11 -0.567 . . . . 7.18 112.697 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 19.3 Cg_endo -61.89 122.73 11.39 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.238 1.959 . . . . 8.09 111.773 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.3 p -72.14 -23.82 61.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 8.86 110.914 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -169.85 159.2 31.75 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.402 -0.679 . . . . 10.03 111.402 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -114.94 -59.45 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.759 0.314 . . . . 11.08 110.242 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -130.26 -62.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 12.07 110.994 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.491 ' HG2' ' HB2' ' A' ' 358' ' ' ASN . 6.5 tp-100 -133.1 136.7 46.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 13.09 110.328 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -121.3 -59.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 14.53 110.978 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -106.02 76.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.171 0.51 . . . . 16.15 111.026 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 140.53 176.09 14.98 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.601 -0.727 . . . . 15.86 112.171 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' ASN . . . . . 0.491 ' HB2' ' HG2' ' A' ' 354' ' ' GLN . 17.0 m120 57.4 31.96 21.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.909 0.385 . . . . 17.9 111.548 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 49.4 ttm -130.42 129.46 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.491 . . . . 18.48 110.258 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.067 -0.968 . . . . 19.85 109.552 179.343 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.915 0.388 . . . . 19.56 110.217 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -159.7 117.65 2.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.947 -0.57 . . . . 17.09 110.223 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -104.14 -34.97 8.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 17.76 109.897 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 166.71 -144.28 8.97 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.713 -0.756 . . . . 14.3 112.448 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -87.87 106.82 18.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.937 0.398 . . . . 12.65 111.167 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.73 -35.52 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 12.67 110.389 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 33.7 t -80.0 69.54 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 10.38 110.763 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' ILE . . . . . 0.462 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 26.4 pt -139.14 151.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.616 -0.72 . . . . 7.73 109.81 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 89.3 m-20 -96.08 100.77 7.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.141 -0.689 . . . . 7.58 109.141 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 9.6 Cg_endo -88.68 124.76 1.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.264 2.643 . . . . 5.2 112.838 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.792 -0.64 . . . . 3.54 110.986 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.4 ttt -60.02 -43.02 95.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.917 -0.583 . . . . 5.05 110.986 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -64.07 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 3.62 110.238 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.24 79.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.763 -0.653 . . . . 2.32 110.661 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.02 76.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 1.81 110.509 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -68.48 -36.22 78.64 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.695 -0.684 . . . . 1.68 110.194 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.39 -50.24 70.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.238 0.542 . . . . 2.56 111.547 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.56 84.27 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.344 -0.844 . . . . 0.98 110.295 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.97 -34.3 33.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.366 -1.288 . . . . 0.92 110.295 -170.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.1 tp -69.16 -4.61 18.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.011 -1.449 . . . . 1.59 110.807 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -42.88 -29.88 0.36 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.483 0.92 . . . . 2.41 113.483 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 p -60.72 -47.84 84.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.061 0.458 . . . . 1.46 111.186 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 9.6 p -96.0 -45.16 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.177 -0.465 . . . . 1.39 111.424 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.016 0.436 . . . . 3.18 110.942 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -68.95 -28.92 72.6 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.641 -0.79 . . . . 0.83 112.42 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 tpp -66.84 -23.76 66.07 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.796 -0.238 . . . . 2.31 111.012 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 52.5 ttp -56.52 -46.23 80.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 3.15 110.233 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -69.93 -39.76 74.68 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.826 -0.702 . . . . 0.66 111.851 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.551 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 21.0 mmt -60.76 -42.91 98.39 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.123 0.487 . . . . 2.55 109.942 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.74 -46.04 80.35 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.082 -0.963 . . . . 1.76 110.541 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.86 74.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.443 -0.799 . . . . 0.88 111.169 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 68.7 m -68.72 -24.55 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 1.61 110.629 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 339' ' ' MET . 52.5 mt-30 -75.65 -13.95 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 2.89 111.174 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 66.41 29.62 9.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.294 -0.866 . . . . 3.1 110.16 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -68.0 -11.8 59.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.49 -0.777 . . . . 4.89 110.049 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.82 -28.09 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.967 -1.015 . . . . 6.02 109.978 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 46.7 m -106.34 107.31 18.25 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.428 -0.805 . . . . 5.05 109.938 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLY . . . . . 0.531 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -60.75 -47.61 90.36 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.311 -0.858 . . . . 7.18 114.409 -177.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 24.7 Cg_endo -62.87 87.15 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.484 2.123 . . . . 8.09 112.981 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 17.1 p -86.86 -28.48 22.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 8.86 110.408 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 105.44 -108.27 2.99 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.787 -0.721 . . . . 10.03 112.064 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -114.93 53.33 0.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.073 0.463 . . . . 11.08 110.772 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -67.07 94.8 0.36 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 12.07 110.937 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 57.34 63.76 1.78 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.341 -0.845 . . . . 13.09 111.347 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 69.67 157.33 0.15 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.705 0.764 . . . . 14.53 111.866 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -91.08 8.71 34.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.75 . . . . 16.15 111.225 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -179.99 168.9 39.42 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.946 -0.645 . . . . 15.86 112.027 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 61.73 81.36 0.2 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.002 0.521 . . . . 17.9 112.292 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 360' ' ' GLN . 51.6 ttm -89.22 -54.1 4.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.555 -0.906 . . . . 18.48 108.555 172.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 360' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 359' ' ' MET . 6.9 tp60 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.855 -1.066 . . . . 19.85 108.45 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 110.04 -0.355 . . . . 19.56 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -54.14 -51.36 64.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.945 0.402 . . . . 17.09 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -86.39 111.72 20.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.053 -0.721 . . . . 17.76 109.053 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -151.21 144.86 12.24 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.429 -0.891 . . . . 14.3 112.103 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -102.54 8.34 39.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.115 0.483 . . . . 12.65 110.481 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.67 28.98 5.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 12.67 109.726 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.8 m -80.47 75.13 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.709 -0.678 . . . . 10.38 111.822 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 318' ' ' ILE . . . . . 0.46 HG22 ' H ' ' A' ' 321' ' ' ALA . 38.1 mm 64.19 95.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.698 -0.683 . . . . 7.73 112.004 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.607 ' N ' ' HD2' ' A' ' 320' ' ' PRO . 14.9 m120 -68.02 -43.31 35.71 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.855 0.687 . . . . 7.58 112.855 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 319' ' ' ASN . 12.1 Cg_endo -56.75 -28.15 74.69 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.143 1.895 . . . . 5.2 112.754 178.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.46 ' H ' HG22 ' A' ' 318' ' ' ILE . . . -65.89 -42.37 90.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.929 0.395 . . . . 3.54 110.235 177.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 38.9 tpp -65.47 -42.94 91.73 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.759 -0.655 . . . . 5.05 110.21 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.69 -38.9 82.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.036 0.446 . . . . 3.62 111.034 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.93 58.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 2.32 110.727 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.7 76.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.868 -0.605 . . . . 1.81 110.353 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -67.7 -48.34 66.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.001 -0.545 . . . . 1.68 109.943 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -55.83 -51.12 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.239 0.542 . . . . 2.56 110.691 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.53 95.44 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 114.845 -1.071 . . . . 0.98 110.456 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.44 -34.81 31.26 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.938 -1.028 . . . . 0.92 110.312 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.9 mt -69.01 -6.12 25.97 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.66 -1.609 . . . . 1.59 111.202 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -52.33 -25.51 9.81 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.206 0.316 . . . . 2.41 111.592 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.6 p -60.22 -45.63 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 1.46 110.79 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 -46.33 11.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.662 -0.699 . . . . 1.39 110.858 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -87.4 -49.8 6.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 3.18 111.697 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' GLY . . . . . 0.577 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -64.02 -43.64 97.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.673 -0.775 . . . . 0.83 112.462 -175.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.1 tpp -68.77 -24.22 64.4 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 121.247 -0.181 . . . . 2.31 110.653 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 48.4 ttm -58.13 -44.28 87.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 3.15 109.781 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -75.56 -38.13 38.67 Favored Glycine 0 C--O 1.22 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.66 112.116 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 61.2 mtt -61.39 -42.24 98.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 117.505 0.653 . . . . 2.55 110.21 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.42 -45.67 79.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.585 -0.734 . . . . 1.76 110.07 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.04 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.54 -0.755 . . . . 0.88 110.828 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.1 t -70.44 -30.57 67.45 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.238 -0.437 . . . . 1.61 110.072 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -73.05 -21.4 60.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.787 -0.642 . . . . 2.89 110.058 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 62.32 71.49 0.53 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.666 -0.697 . . . . 3.1 110.689 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -70.55 -23.07 62.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.533 -0.758 . . . . 4.89 110.265 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -63.92 -28.97 70.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.519 -0.764 . . . . 6.02 109.896 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 33.1 m -112.27 25.91 11.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.667 -0.697 . . . . 5.05 109.798 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLY . . . . . 0.481 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -61.82 -53.99 38.9 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.446 -0.797 . . . . 7.18 112.643 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 18.2 Cg_endo -60.96 141.27 94.01 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.326 2.017 . . . . 8.09 111.778 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.8 p -74.84 -25.61 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 8.86 110.945 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -112.89 142.36 17.32 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.197 -0.761 . . . . 10.03 111.197 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -61.07 155.61 19.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.575 0.226 . . . . 11.08 110.742 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -75.75 67.95 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.502 0.668 . . . . 12.07 111.072 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.467 ' HG3' ' H ' ' A' ' 356' ' ' GLN . 58.0 tp60 -144.18 152.66 41.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.392 -0.822 . . . . 13.09 108.875 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -76.24 -12.36 60.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.706 0.289 . . . . 14.53 111.14 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLN . . . . . 0.467 ' H ' ' HG3' ' A' ' 354' ' ' GLN . 35.4 tt0 -140.9 88.76 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 16.15 110.258 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -145.72 56.92 0.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.389 -0.684 . . . . 15.86 111.389 178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -82.54 112.39 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.234 . . . . 17.9 110.757 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 26.5 mmt 67.18 -73.84 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.813 0.695 . . . . 18.48 112.064 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.548 -0.739 . . . . 19.85 109.668 -176.256 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 CA--C 1.531 0.361 0 N-CA-C 113.81 0.658 . . . . 5.2 113.81 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -80.8 -36.88 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.086 0.469 . . . . 3.54 110.039 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.42 -38.0 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 5.05 110.234 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.8 mtp -59.48 -36.51 76.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 3.62 110.739 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.58 66.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.784 -0.644 . . . . 2.32 110.813 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.78 -33.34 74.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.359 0.599 . . . . 1.81 110.177 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -72.24 -35.36 68.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.68 109.535 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -61.51 -48.72 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 2.56 110.348 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.87 -36.83 70.53 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 115.215 -0.902 . . . . 0.98 110.141 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.8 31.95 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.607 -1.178 . . . . 0.92 109.877 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 0.9 OUTLIER -71.3 -8.25 52.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.61 -1.632 . . . . 1.59 111.065 176.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.56 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 52.2 tt0 -52.24 -29.18 21.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.831 -0.622 . . . . 2.41 111.75 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.2 p -54.07 -52.04 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.16 0.505 . . . . 1.46 111.332 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 337' ' ' MET . 49.9 m -88.37 -46.38 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.841 -0.618 . . . . 1.39 111.318 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -87.0 -47.45 8.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.741 0.305 . . . . 3.18 111.653 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . 0.56 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -63.16 -44.35 97.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.83 112.742 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.55 -23.7 60.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.984 -0.287 . . . . 2.31 110.541 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 333' ' ' SER . 27.3 ttt -59.02 -48.15 82.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 3.15 110.108 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.16 97.85 Favored Glycine 0 C--O 1.225 -0.434 0 C-N-CA 120.863 -0.684 . . . . 0.66 111.939 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.14 -41.92 97.61 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.604 . . . . 2.55 110.211 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 5.8 tt -67.78 -46.07 73.07 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.062 -0.972 . . . . 1.76 109.714 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.3 65.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.88 112.113 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 77.2 p -70.34 -25.9 63.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.89 0.33 . . . . 1.61 111.89 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 340' ' ' LEU . 3.6 pt20 -75.5 -16.3 60.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.253 0.549 . . . . 2.89 110.055 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-N 114.723 -1.126 . . . . 3.1 110.869 -179.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 121.048 0.353 . . . . 5.2 112.378 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.22 -33.78 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.48 -0.782 . . . . 3.54 111.462 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.5 tpt -59.47 -44.89 92.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 5.05 110.649 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.51 -35.91 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 3.62 110.7 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.28 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.535 . . . . 2.32 110.451 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.57 90.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 1.81 110.314 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -60.23 -44.69 95.0 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.798 -0.637 . . . . 1.68 110.605 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 331' ' ' GLN . 6.2 tp60 -56.86 -50.77 71.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.101 0.477 . . . . 2.56 111.069 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.24 99.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 115.246 -0.888 . . . . 0.98 110.319 -177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.1 -49.75 10.48 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-N 114.561 -1.199 . . . . 0.92 110.994 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.1 mm? -71.08 -8.9 56.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.837 -1.074 . . . . 1.59 111.041 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 327' ' ' GLN . 20.4 tt0 -52.23 -29.0 20.67 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.299 -0.41 . . . . 2.41 111.606 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 30.3 t -61.93 -48.22 81.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 1.46 110.922 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 8.6 p -91.39 -45.85 8.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 1.39 111.58 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -86.36 -44.4 12.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.462 -0.336 . . . . 3.18 111.266 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.59 -34.41 88.95 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.764 -0.732 . . . . 0.83 112.775 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . 0.647 ' HG3' ' HG ' ' A' ' 340' ' ' LEU . 14.2 tpt -68.83 -22.56 64.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.807 -0.231 . . . . 2.31 111.097 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.8 mmt -53.58 -45.72 70.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.804 0.335 . . . . 3.15 111.012 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.53 -38.04 93.08 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.897 -0.668 . . . . 0.66 112.079 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.12 -42.62 96.78 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.2 0.524 . . . . 2.55 109.786 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.647 ' HG ' ' HG3' ' A' ' 336' ' ' MET . 90.1 mt -66.13 -46.4 77.66 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.365 -0.834 . . . . 1.76 110.387 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.72 73.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.42 -0.809 . . . . 0.88 111.766 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.7 p -71.84 -32.96 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.47 . . . . 1.61 110.942 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.27 -37.9 74.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.748 -0.66 . . . . 2.89 111.234 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 115.32 -0.854 . . . . 3.1 112.555 174.574 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . 0.652 ' O ' ' HG3' ' A' ' 323' ' ' MET . 22.0 Cg_exo . . . . . 0 CA--C 1.528 0.21 0 N-CA-C 113.375 0.49 . . . . 5.2 113.375 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.11 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.543 0.211 . . . . 3.54 110.785 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 41.7 ttp -64.78 -47.65 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.488 -0.324 . . . . 5.05 110.64 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' ' 320' ' ' PRO . 0.0 OUTLIER -66.8 -34.32 77.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.379 . . . . 3.62 109.984 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.69 91.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 2.32 110.777 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.59 75.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.533 . . . . 1.81 110.254 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.72 -34.01 74.92 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.484 -0.78 . . . . 1.68 110.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.72 -48.55 63.53 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.685 0.615 . . . . 2.56 112.088 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.99 65.56 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.913 0.863 . . . . 0.98 109.93 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.45 -34.22 31.58 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 114.25 -1.341 . . . . 0.92 109.717 -175.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.89 -6.92 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.968 -1.469 . . . . 1.59 110.443 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.781 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 34.5 tt0 -48.21 -27.95 2.73 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.651 -0.704 . . . . 2.41 111.984 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.3 p -52.46 -47.78 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 1.46 110.843 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 14.8 m -91.02 -46.52 8.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.955 -0.566 . . . . 1.39 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -86.57 -49.95 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.222 -0.444 . . . . 3.18 111.797 -170.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . 0.781 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -67.43 -27.84 73.58 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.137 -0.554 . . . . 0.83 112.549 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 42.2 ttp -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.457 0.303 . . . . 2.31 111.526 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 59.4 ttp -51.48 -50.2 60.32 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.833 0.349 . . . . 3.15 110.812 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -70.92 -35.52 65.29 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.811 -0.709 . . . . 0.66 112.19 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 69.2 mtp -62.75 -42.53 99.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.393 0.615 . . . . 2.55 109.794 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 60.4 tp -72.45 -39.64 67.66 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.022 -0.99 . . . . 1.76 110.045 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.71 -34.71 74.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.745 -0.661 . . . . 0.88 111.105 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 49.5 m -70.45 -42.71 71.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 1.61 110.38 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 6.3 tp-100 -71.65 -17.84 62.23 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.484 0.659 . . . . 2.89 109.812 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 343' ' ' GLN . 79.7 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-N 114.246 -1.343 . . . . 3.1 111.185 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo . . . . . 0 CA--C 1.53 0.306 0 N-CA-C 112.731 0.243 . . . . 5.2 112.731 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.13 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.959 0.409 . . . . 3.54 110.686 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 23.9 mmt -67.21 -37.82 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 5.05 110.395 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.1 mtt -65.81 -36.63 84.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.374 -0.375 . . . . 3.62 110.459 176.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.8 74.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 2.32 110.787 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.07 83.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.061 -0.518 . . . . 1.81 110.142 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -65.1 -48.72 72.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.735 -0.666 . . . . 1.68 109.626 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -50.36 70.38 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.201 0.524 . . . . 2.56 111.274 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.21 89.54 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.117 -0.947 . . . . 0.98 110.474 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.45 19.59 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 114.861 -1.063 . . . . 0.92 111.167 -171.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 15.0 mt -70.94 -6.95 42.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.011 -0.995 . . . . 1.59 111.399 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -50.19 -29.89 10.29 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.049 0.54 . . . . 2.41 112.275 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.7 m -61.57 -48.63 80.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 1.46 111.504 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 46.9 t -93.1 -46.53 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.857 0.361 . . . . 1.39 111.225 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -86.73 -37.17 18.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.37 . . . . 3.18 110.891 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -70.12 -28.93 70.95 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.83 112.021 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 ttm -67.67 -23.37 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.073 -0.075 . . . . 2.31 110.805 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.1 ttt -52.78 -49.11 66.23 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.643 0.258 . . . . 3.15 110.917 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.37 79.9 Favored Glycine 0 C--O 1.224 -0.487 0 C-N-CA 120.982 -0.628 . . . . 0.66 112.495 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.6 mmt -68.88 -42.83 76.45 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.338 0.589 . . . . 2.55 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.72 -46.85 70.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.09 -0.959 . . . . 1.76 109.85 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.46 74.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.369 -0.832 . . . . 0.88 110.906 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 25.5 t -67.53 -47.68 69.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.137 -0.69 . . . . 1.61 109.137 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -67.43 -31.83 72.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.409 . . . . 2.89 110.238 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 3.1 111.447 -178.647 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 323' ' ' MET . 38.2 Cg_endo . . . . . 0 N--CA 1.464 -0.243 0 CA-C-O 121.3 0.458 . . . . 5.2 112.988 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.13 -22.39 28.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.922 -1.035 . . . . 3.54 110.933 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.9 mtt -53.05 -33.75 53.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.538 -0.756 . . . . 5.05 111.749 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 26.1 ptt? -66.52 -35.59 80.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.117 0.484 . . . . 3.62 110.484 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.27 42.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.868 -0.606 . . . . 2.32 110.259 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.839 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.83 -46.75 64.94 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.477 -0.783 . . . . 1.68 109.403 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.02 -48.81 67.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 123.79 0.681 . . . . 2.56 111.473 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.66 62.69 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 115.194 -0.912 . . . . 0.98 110.202 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.8 30.02 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 114.422 -1.263 . . . . 0.92 110.149 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.22 -6.11 12.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.69 -1.595 . . . . 1.59 110.608 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' H ' ' A' ' 335' ' ' GLY . 29.9 pt20 -46.93 -28.55 1.65 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.529 0.732 . . . . 2.41 112.769 -176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.0 t -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.096 0.474 . . . . 1.46 110.519 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 34.4 t -92.18 -47.61 7.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 1.39 111.266 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -88.4 -50.37 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.945 0.35 . . . . 3.18 111.945 -173.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 331' ' ' GLN . . . -64.48 -40.71 97.92 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.751 -0.738 . . . . 0.83 112.591 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 43.6 ttm -61.07 -27.17 68.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.164 0.186 . . . . 2.31 111.396 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.8 ttp -54.97 -43.94 73.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.191 0.52 . . . . 3.15 109.857 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.03 -46.88 6.84 Favored Glycine 0 C--O 1.222 -0.635 0 CA-C-N 115.566 -0.743 . . . . 0.66 112.339 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 56.7 mtt -60.41 -43.95 96.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.101 0.477 . . . . 2.55 111.222 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.36 -36.68 66.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.422 0.629 . . . . 1.76 109.783 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.96 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.169 -0.923 . . . . 0.88 111.157 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.4 m -69.57 -34.96 74.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 1.61 111.206 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -75.18 -15.74 60.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.968 0.413 . . . . 2.89 110.799 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-N 115.327 -0.852 . . . . 3.1 110.791 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . 0.495 ' HB2' ' HB2' ' A' ' 323' ' ' MET . 96.3 Cg_endo . . . . . 0 N--CA 1.458 -0.582 0 N-CA-C 112.736 0.245 . . . . 5.2 112.736 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.265 -0.425 . . . . 3.54 111.02 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.0 ptm -75.37 -35.34 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 5.05 110.717 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.621 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 24.0 mmt -66.88 -37.01 83.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.03 0.443 . . . . 3.62 110.558 -178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.87 84.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.619 . . . . 2.32 110.368 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.09 77.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.81 109.994 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -63.89 -48.6 75.98 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.738 -0.664 . . . . 1.68 109.52 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 323' ' ' MET . 11.9 mm100 -57.01 -48.92 77.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.995 0.426 . . . . 2.56 111.052 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.36 95.29 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.438 -0.801 . . . . 0.98 110.842 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.28 26.2 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.938 -1.028 . . . . 0.92 110.758 -172.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.4 tp -71.63 -10.31 59.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.612 -1.176 . . . . 1.59 110.309 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -52.04 -28.91 18.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.562 -0.744 . . . . 2.41 112.102 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 p -59.48 -48.04 83.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.053 0.454 . . . . 1.46 111.164 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 337' ' ' MET . 30.6 t -88.67 -46.12 9.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.028 -0.533 . . . . 1.39 110.901 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -86.03 -29.75 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.049 -0.523 . . . . 3.18 111.454 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -63.66 -43.88 97.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.765 -0.731 . . . . 0.83 112.418 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.16 -28.02 66.93 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.933 -0.307 . . . . 2.31 111.03 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 333' ' ' SER . 24.7 mmt -57.69 -47.79 81.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 3.15 110.067 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.31 76.07 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-N 115.725 -0.671 . . . . 0.66 112.048 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 62.0 mtt -60.49 -43.02 97.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 117.703 0.751 . . . . 2.55 110.514 -178.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.9 -46.7 80.61 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.379 -0.828 . . . . 1.76 109.94 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.76 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.113 -0.949 . . . . 0.88 111.935 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 58.1 p -70.75 -34.76 72.19 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.725 0.298 . . . . 1.61 111.379 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -73.17 -15.04 61.47 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.179 -0.464 . . . . 2.89 111.259 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 N--CA 1.462 0.137 0 CA-C-N 115.438 -0.801 . . . . 3.1 110.821 -177.652 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo . . . . . 0 C--O 1.234 0.321 0 CA-C-O 120.712 0.213 . . . . 5.2 112.638 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.51 70.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.409 -0.36 . . . . 3.54 111.128 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.3 tpt -67.2 -39.74 86.37 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.102 0.477 . . . . 5.05 110.421 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 2.0 tmt? -66.9 -37.97 85.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 3.62 109.963 177.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.59 81.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 2.32 110.563 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.84 72.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 1.81 110.264 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.67 -35.8 73.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 1.68 109.87 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 323' ' ' MET . 15.9 mm100 -58.36 -38.3 76.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.194 0.309 . . . . 2.56 111.45 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.31 -45.07 68.83 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.978 0.894 . . . . 0.98 110.281 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.24 24.67 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.346 -1.297 . . . . 0.92 109.944 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.66 -8.15 49.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 113.738 -1.573 . . . . 1.59 111.292 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.79 -30.44 14.2 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.378 0.51 . . . . 2.41 112.378 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.0 t -74.99 -44.92 45.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.948 0.404 . . . . 1.46 110.406 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.9 m -83.63 -46.94 11.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 1.39 111.25 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -88.81 -39.17 14.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.758 0.313 . . . . 3.18 110.676 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.88 74.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.159 -0.543 . . . . 0.83 113.288 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.42 -22.69 62.7 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.659 -0.318 . . . . 2.31 110.852 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.4 ttp -54.91 -46.74 74.89 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.706 0.288 . . . . 3.15 110.675 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.45 94.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.9 -0.667 . . . . 0.66 111.973 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.334 0.588 . . . . 2.55 110.159 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.37 -46.94 68.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.806 -1.088 . . . . 1.76 110.514 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.57 71.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.527 -0.76 . . . . 0.88 111.545 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 46.8 t -68.71 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.61 111.026 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.69 -15.09 60.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 2.89 111.124 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 115.565 -0.743 . . . . 3.1 110.632 -178.473 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.649 0.187 . . . . 5.2 112.063 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.93 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 3.54 111.356 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.29 -41.36 81.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 5.05 110.804 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.1 -35.85 80.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 3.62 110.621 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.77 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 2.32 110.711 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.88 85.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.125 0.488 . . . . 1.81 109.985 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -66.06 -48.4 71.14 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.313 -0.858 . . . . 1.68 110.015 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.493 ' HA ' ' OE1' ' A' ' 327' ' ' GLN . 5.1 tp60 -56.29 -45.96 79.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 2.56 111.375 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.88 88.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.98 110.878 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.4 -49.11 11.91 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.221 -0.899 . . . . 0.92 110.721 -170.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 25.2 mt -67.48 -6.7 20.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.452 -1.249 . . . . 1.59 111.052 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -51.5 -27.84 11.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.045 0.45 . . . . 2.41 111.221 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.4 t -61.47 -46.61 89.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.564 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.8 m -86.01 -43.48 13.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 1.39 111.263 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -85.35 -41.01 15.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 3.18 110.725 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -65.04 -28.01 72.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.243 -0.503 . . . . 0.83 112.668 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.7 tpp -60.09 -23.72 64.03 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 120.241 0.067 . . . . 2.31 111.16 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.44 -40.85 88.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 3.15 110.291 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.17 -34.68 29.06 Favored Glycine 0 CA--C 1.505 -0.565 0 C-N-CA 121.026 -0.606 . . . . 0.66 112.084 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 71.8 mtp -63.66 -43.46 96.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.263 0.554 . . . . 2.55 109.804 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.11 -46.26 74.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.976 -1.011 . . . . 1.76 109.334 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.18 79.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.418 -0.81 . . . . 0.88 111.448 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 67.8 m -70.56 -45.23 65.83 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 1.61 110.556 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.42 -34.21 77.45 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.878 -0.601 . . . . 2.89 110.588 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.484 0.659 . . . . 3.1 110.599 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 CA-C-O 121.163 0.401 . . . . 5.2 112.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.792 -0.64 . . . . 3.54 110.986 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.4 ttt -60.02 -43.02 95.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.917 -0.583 . . . . 5.05 110.986 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -64.07 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 3.62 110.238 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.24 79.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.763 -0.653 . . . . 2.32 110.661 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.02 76.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 1.81 110.509 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -68.48 -36.22 78.64 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.695 -0.684 . . . . 1.68 110.194 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.39 -50.24 70.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.238 0.542 . . . . 2.56 111.547 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.56 84.27 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.344 -0.844 . . . . 0.98 110.295 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.97 -34.3 33.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.366 -1.288 . . . . 0.92 110.295 -170.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.1 tp -69.16 -4.61 18.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.011 -1.449 . . . . 1.59 110.807 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -42.88 -29.88 0.36 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.483 0.92 . . . . 2.41 113.483 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 p -60.72 -47.84 84.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.061 0.458 . . . . 1.46 111.186 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 9.6 p -96.0 -45.16 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.177 -0.465 . . . . 1.39 111.424 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.016 0.436 . . . . 3.18 110.942 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -68.95 -28.92 72.6 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.641 -0.79 . . . . 0.83 112.42 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 tpp -66.84 -23.76 66.07 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.796 -0.238 . . . . 2.31 111.012 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 52.5 ttp -56.52 -46.23 80.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 3.15 110.233 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -69.93 -39.76 74.68 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.826 -0.702 . . . . 0.66 111.851 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.551 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 21.0 mmt -60.76 -42.91 98.39 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.123 0.487 . . . . 2.55 109.942 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.74 -46.04 80.35 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.082 -0.963 . . . . 1.76 110.541 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.86 74.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.443 -0.799 . . . . 0.88 111.169 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 68.7 m -68.72 -24.55 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 1.61 110.629 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 339' ' ' MET . 52.5 mt-30 -75.65 -13.95 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 2.89 111.174 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 CA--C 1.52 -0.192 0 CA-C-N 115.294 -0.866 . . . . 3.1 110.16 -172.675 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 N--CA 1.472 0.239 0 N-CA-C 112.754 0.251 . . . . 5.2 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.37 90.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.929 0.395 . . . . 3.54 110.235 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 38.9 tpp -65.47 -42.94 91.73 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.759 -0.655 . . . . 5.05 110.21 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.69 -38.9 82.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.036 0.446 . . . . 3.62 111.034 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.93 58.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 2.32 110.727 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.7 76.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.868 -0.605 . . . . 1.81 110.353 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -67.7 -48.34 66.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.001 -0.545 . . . . 1.68 109.943 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -55.83 -51.12 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.239 0.542 . . . . 2.56 110.691 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.53 95.44 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 114.845 -1.071 . . . . 0.98 110.456 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.44 -34.81 31.26 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.938 -1.028 . . . . 0.92 110.312 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.9 mt -69.01 -6.12 25.97 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.66 -1.609 . . . . 1.59 111.202 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -52.33 -25.51 9.81 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.206 0.316 . . . . 2.41 111.592 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.6 p -60.22 -45.63 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 1.46 110.79 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 -46.33 11.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.662 -0.699 . . . . 1.39 110.858 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -87.4 -49.8 6.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 3.18 111.697 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . 0.577 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -64.02 -43.64 97.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.673 -0.775 . . . . 0.83 112.462 -175.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.1 tpp -68.77 -24.22 64.4 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 121.247 -0.181 . . . . 2.31 110.653 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 48.4 ttm -58.13 -44.28 87.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 3.15 109.781 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -75.56 -38.13 38.67 Favored Glycine 0 C--O 1.22 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.66 112.116 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 61.2 mtt -61.39 -42.24 98.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 117.505 0.653 . . . . 2.55 110.21 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.42 -45.67 79.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.585 -0.734 . . . . 1.76 110.07 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.04 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.54 -0.755 . . . . 0.88 110.828 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.1 t -70.44 -30.57 67.45 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.238 -0.437 . . . . 1.61 110.072 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.05 -21.4 60.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.787 -0.642 . . . . 2.89 110.058 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 115.666 -0.697 . . . . 3.1 110.689 176.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.718 -0.475 . . . . 19.56 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 72.93 136.32 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.718 0.636 . . . . 17.09 110.71 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -81.58 163.61 22.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.6 -0.727 . . . . 17.76 111.506 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -82.65 81.15 1.74 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.651 -0.704 . . . . 14.3 111.79 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.86 -62.81 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 12.65 111.448 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -108.68 -15.33 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.345 0.593 . . . . 12.67 109.888 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 13.5 t -74.42 118.25 17.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 10.38 110.009 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 34.5 pt -130.43 165.3 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 7.73 110.816 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.433 ' HB3' ' HD2' ' A' ' 320' ' ' PRO . 19.5 m120 -106.63 158.09 33.56 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.625 -0.716 . . . . 7.58 109.328 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 319' ' ' ASN . 58.7 Cg_endo -71.41 46.27 0.74 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.164 2.576 . . . . 5.2 113.81 -176.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -80.8 -36.88 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.086 0.469 . . . . 3.54 110.039 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.42 -38.0 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 5.05 110.234 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.8 mtp -59.48 -36.51 76.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 3.62 110.739 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.58 66.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.784 -0.644 . . . . 2.32 110.813 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.78 -33.34 74.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.359 0.599 . . . . 1.81 110.177 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -72.24 -35.36 68.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.68 109.535 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -61.51 -48.72 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 2.56 110.348 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.87 -36.83 70.53 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 115.215 -0.902 . . . . 0.98 110.141 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.8 31.95 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.607 -1.178 . . . . 0.92 109.877 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 0.9 OUTLIER -71.3 -8.25 52.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.61 -1.632 . . . . 1.59 111.065 176.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.56 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 52.2 tt0 -52.24 -29.18 21.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.831 -0.622 . . . . 2.41 111.75 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.2 p -54.07 -52.04 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.16 0.505 . . . . 1.46 111.332 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 337' ' ' MET . 49.9 m -88.37 -46.38 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.841 -0.618 . . . . 1.39 111.318 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -87.0 -47.45 8.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.741 0.305 . . . . 3.18 111.653 -172.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . 0.56 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -63.16 -44.35 97.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.83 112.742 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.55 -23.7 60.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.984 -0.287 . . . . 2.31 110.541 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 333' ' ' SER . 27.3 ttt -59.02 -48.15 82.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 3.15 110.108 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.16 97.85 Favored Glycine 0 C--O 1.225 -0.434 0 C-N-CA 120.863 -0.684 . . . . 0.66 111.939 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.14 -41.92 97.61 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.604 . . . . 2.55 110.211 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 5.8 tt -67.78 -46.07 73.07 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.062 -0.972 . . . . 1.76 109.714 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.3 65.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.88 112.113 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 77.2 p -70.34 -25.9 63.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.89 0.33 . . . . 1.61 111.89 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 340' ' ' LEU . 3.6 pt20 -75.5 -16.3 60.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.253 0.549 . . . . 2.89 110.055 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 59.66 65.69 1.11 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.723 -1.126 . . . . 3.1 110.869 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -68.86 -19.2 64.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.239 -0.891 . . . . 4.89 109.802 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -61.35 -26.14 67.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.784 -1.098 . . . . 6.02 110.113 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 20.0 m 72.98 107.79 0.07 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.078 -0.965 . . . . 5.05 110.887 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -70.62 -54.47 10.11 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.675 -0.693 . . . . 7.18 112.656 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.65 130.31 38.07 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.512 2.141 . . . . 8.09 111.729 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 12.8 t -79.79 -20.65 45.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.954 -0.566 . . . . 8.86 110.387 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -82.44 -88.49 0.69 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.787 -0.72 . . . . 10.03 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.86 -62.21 0.3 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.136 0.575 . . . . 11.08 111.281 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -78.81 68.57 4.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.412 -0.958 . . . . 12.07 108.412 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -140.55 140.39 35.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.086 -0.961 . . . . 13.09 108.972 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -65.0 -40.53 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 14.53 111.596 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -131.85 125.25 31.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.694 -0.484 . . . . 16.15 109.694 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 162.92 72.89 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.208 -0.996 . . . . 15.86 113.046 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.31 16.63 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.983 -0.747 . . . . 17.9 108.983 175.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.9 mmt 63.41 25.75 14.68 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.137 -0.938 . . . . 18.48 110.897 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.032 -0.985 . . . . 19.85 109.681 177.062 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.644 0.259 . . . . 19.56 110.354 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -126.07 -12.15 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.034 0.445 . . . . 17.09 111.018 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -126.17 118.86 26.08 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.08 -0.711 . . . . 17.76 109.08 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -165.5 89.53 0.1 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.516 -0.849 . . . . 14.3 112.231 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -146.97 141.49 26.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.194 -0.669 . . . . 12.65 109.194 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 63.98 -175.28 0.16 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.783 0.677 . . . . 12.67 110.584 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.0 m -101.65 58.58 0.85 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.153 0.502 . . . . 10.38 109.888 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.5 pp -112.34 18.9 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.052 -0.522 . . . . 7.73 112.063 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 27.5 p-10 -84.91 134.75 40.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.838 -0.43 . . . . 7.58 109.838 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 43.1 Cg_exo -58.28 132.39 48.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 5.2 112.378 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.22 -33.78 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.48 -0.782 . . . . 3.54 111.462 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.5 tpt -59.47 -44.89 92.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 5.05 110.649 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.51 -35.91 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 3.62 110.7 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.28 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.535 . . . . 2.32 110.451 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.57 90.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 1.81 110.314 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -60.23 -44.69 95.0 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.798 -0.637 . . . . 1.68 110.605 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 331' ' ' GLN . 6.2 tp60 -56.86 -50.77 71.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.101 0.477 . . . . 2.56 111.069 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.24 99.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 115.246 -0.888 . . . . 0.98 110.319 -177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.1 -49.75 10.48 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-N 114.561 -1.199 . . . . 0.92 110.994 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.1 mm? -71.08 -8.9 56.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.837 -1.074 . . . . 1.59 111.041 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 327' ' ' GLN . 20.4 tt0 -52.23 -29.0 20.67 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.299 -0.41 . . . . 2.41 111.606 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 30.3 t -61.93 -48.22 81.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 1.46 110.922 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 8.6 p -91.39 -45.85 8.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 1.39 111.58 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -86.36 -44.4 12.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.462 -0.336 . . . . 3.18 111.266 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.59 -34.41 88.95 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.764 -0.732 . . . . 0.83 112.775 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . 0.647 ' HG3' ' HG ' ' A' ' 340' ' ' LEU . 14.2 tpt -68.83 -22.56 64.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.807 -0.231 . . . . 2.31 111.097 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.8 mmt -53.58 -45.72 70.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.804 0.335 . . . . 3.15 111.012 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.53 -38.04 93.08 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.897 -0.668 . . . . 0.66 112.079 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.12 -42.62 96.78 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.2 0.524 . . . . 2.55 109.786 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.647 ' HG ' ' HG3' ' A' ' 336' ' ' MET . 90.1 mt -66.13 -46.4 77.66 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.365 -0.834 . . . . 1.76 110.387 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.72 73.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.42 -0.809 . . . . 0.88 111.766 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.7 p -71.84 -32.96 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.47 . . . . 1.61 110.942 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.27 -37.9 74.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.748 -0.66 . . . . 2.89 111.234 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 66.16 12.52 8.59 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.32 -0.854 . . . . 3.1 112.555 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -70.33 -21.89 62.86 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.544 0.688 . . . . 4.89 110.057 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.458 ' H ' ' HG3' ' A' ' 346' ' ' GLN . 0.0 OUTLIER -65.44 -24.54 67.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.07 -0.968 . . . . 6.02 111.052 177.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.5 t 72.14 36.83 1.06 Allowed 'General case' 0 N--CA 1.46 0.064 0 CA-C-N 115.142 -0.935 . . . . 5.05 111.101 172.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.67 18.63 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.521 -0.847 . . . . 7.18 111.519 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.14 166.67 28.56 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.281 1.987 . . . . 8.09 111.507 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 6.5 m -70.0 -19.53 63.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.295 0.569 . . . . 8.86 110.387 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 87.77 -64.19 3.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.285 -0.726 . . . . 10.03 111.285 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -167.5 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.961 -0.385 . . . . 11.08 109.961 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 64.5 t30 50.34 49.78 19.97 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.795 0.807 . . . . 12.07 109.56 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -154.17 -70.9 0.13 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.112 -0.949 . . . . 13.09 110.419 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -85.64 -30.18 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 14.53 110.434 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 356' ' ' GLN . 6.2 tp60 63.09 107.52 0.03 OUTLIER 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.813 0.696 . . . . 16.15 112.751 174.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -87.11 156.48 28.46 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.024 -0.83 . . . . 15.86 111.024 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -133.81 179.59 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.886 0.343 . . . . 17.9 111.357 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 87.8 mmm 65.34 81.97 0.19 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.25 -0.886 . . . . 18.48 111.441 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 360' ' ' GLN . 1.6 mp0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.694 -0.669 . . . . 19.85 109.265 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 61.9 ttp . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.669 0.271 . . . . 19.56 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -162.22 99.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.213 -0.449 . . . . 17.09 109.863 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 40.7 t80 58.59 59.64 2.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.678 0.751 . . . . 17.76 109.672 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -93.02 117.21 5.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.309 -0.859 . . . . 14.3 112.147 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -138.87 -164.77 1.71 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.637 -0.505 . . . . 12.65 109.637 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -60.09 -33.62 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 12.67 110.815 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 23.3 t -84.22 72.08 10.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.237 0.541 . . . . 10.38 110.403 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.52 -48.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.575 . . . . 7.73 109.685 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.469 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 8.8 p30 -133.72 146.74 61.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 7.58 110.101 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.652 ' O ' ' HG3' ' A' ' 323' ' ' MET . 22.0 Cg_exo -65.56 -10.3 25.82 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.474 2.783 . . . . 5.2 113.375 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.442 ' HB3' ' OD1' ' A' ' 319' ' ' ASN . . . -63.86 -29.11 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.543 0.211 . . . . 3.54 110.785 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 41.7 ttp -64.78 -47.65 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.488 -0.324 . . . . 5.05 110.64 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' ' 320' ' ' PRO . 0.0 OUTLIER -66.8 -34.32 77.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.379 . . . . 3.62 109.984 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.69 91.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 2.32 110.777 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.59 75.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.533 . . . . 1.81 110.254 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.72 -34.01 74.92 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.484 -0.78 . . . . 1.68 110.386 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.72 -48.55 63.53 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.685 0.615 . . . . 2.56 112.088 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.99 65.56 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.913 0.863 . . . . 0.98 109.93 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.45 -34.22 31.58 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 114.25 -1.341 . . . . 0.92 109.717 -175.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.89 -6.92 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.968 -1.469 . . . . 1.59 110.443 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.781 ' HG3' ' HA3' ' A' ' 335' ' ' GLY . 34.5 tt0 -48.21 -27.95 2.73 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.651 -0.704 . . . . 2.41 111.984 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.3 p -52.46 -47.78 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 1.46 110.843 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 14.8 m -91.02 -46.52 8.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.955 -0.566 . . . . 1.39 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -86.57 -49.95 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.222 -0.444 . . . . 3.18 111.797 -170.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . 0.781 ' HA3' ' HG3' ' A' ' 331' ' ' GLN . . . -67.43 -27.84 73.58 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.137 -0.554 . . . . 0.83 112.549 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 42.2 ttp -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.457 0.303 . . . . 2.31 111.526 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 59.4 ttp -51.48 -50.2 60.32 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.833 0.349 . . . . 3.15 110.812 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -70.92 -35.52 65.29 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.811 -0.709 . . . . 0.66 112.19 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 69.2 mtp -62.75 -42.53 99.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.393 0.615 . . . . 2.55 109.794 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 60.4 tp -72.45 -39.64 67.66 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.022 -0.99 . . . . 1.76 110.045 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.71 -34.71 74.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.745 -0.661 . . . . 0.88 111.105 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 49.5 m -70.45 -42.71 71.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 1.61 110.38 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 6.3 tp-100 -71.65 -17.84 62.23 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.484 0.659 . . . . 2.89 109.812 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 343' ' ' GLN . 79.7 mt-30 76.89 131.4 0.05 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.246 -1.343 . . . . 3.1 111.185 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -91.03 22.24 3.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.639 1.209 . . . . 4.89 108.482 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -58.01 -33.87 69.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.527 -1.669 . . . . 6.02 109.903 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.3 m 52.74 72.49 0.41 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.6 -0.727 . . . . 5.05 111.577 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -60.64 -54.73 34.61 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.927 -0.654 . . . . 7.18 112.653 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.08 113.7 3.85 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.45 2.1 . . . . 8.09 111.555 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 23.1 t -87.44 -30.63 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.399 0.618 . . . . 8.86 109.59 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 87.95 -75.89 2.02 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.03 111.869 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -151.12 -55.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 11.08 110.404 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . 0.405 ' ND2' HD21 ' A' ' 355' ' ' ASN . 51.4 t30 -156.67 131.11 8.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 12.07 109.91 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -127.2 93.45 3.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 13.09 110.972 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . 0.405 HD21 ' ND2' ' A' ' 353' ' ' ASN . 5.8 m-80 -95.2 -79.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.358 -0.608 . . . . 14.53 109.358 175.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . 0.4 ' H ' ' HB2' ' A' ' 355' ' ' ASN . 95.6 mt-30 -109.53 -9.65 14.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.498 -0.774 . . . . 16.15 109.819 175.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -80.7 76.51 2.11 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.826 -0.625 . . . . 15.86 111.703 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -68.86 -76.44 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 17.9 110.096 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.7 mmt -116.09 -6.25 11.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.559 . . . . 18.48 109.557 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 . . . . . 0 C--O 1.247 0.932 0 N-CA-C 108.602 -0.888 . . . . 19.85 108.602 -177.678 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.731 0.301 . . . . 19.56 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -145.46 136.45 24.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.353 . . . . 17.09 110.328 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -160.35 172.59 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.732 -0.667 . . . . 17.76 109.538 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 109.45 -34.0 5.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.702 -0.761 . . . . 14.3 112.288 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -135.88 -173.59 3.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.696 -0.483 . . . . 12.65 109.696 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -76.49 -84.9 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.765 0.317 . . . . 12.67 110.774 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 22.0 m -121.95 -28.82 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.491 -0.322 . . . . 10.38 111.032 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . 0.702 HG22 ' HD3' ' A' ' 320' ' ' PRO . 4.1 mp -89.37 103.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.26 -0.645 . . . . 7.73 109.26 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 322' ' ' MET . 3.0 m-20 -124.38 64.73 38.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.459 . . . . 7.58 110.95 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.702 ' HD3' HG22 ' A' ' 318' ' ' ILE . 25.6 Cg_endo -63.64 -52.07 2.08 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.399 2.066 . . . . 5.2 112.731 -174.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.13 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.959 0.409 . . . . 3.54 110.686 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . 0.686 ' HB2' ' HB3' ' A' ' 319' ' ' ASN . 23.9 mmt -67.21 -37.82 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 5.05 110.395 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 319' ' ' ASN . 68.1 mtt -65.81 -36.63 84.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.374 -0.375 . . . . 3.62 110.459 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.8 74.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 2.32 110.787 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.07 83.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.061 -0.518 . . . . 1.81 110.142 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -65.1 -48.72 72.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.735 -0.666 . . . . 1.68 109.626 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -50.36 70.38 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.201 0.524 . . . . 2.56 111.274 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.21 89.54 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.117 -0.947 . . . . 0.98 110.474 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.45 19.59 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 114.861 -1.063 . . . . 0.92 111.167 -171.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 15.0 mt -70.94 -6.95 42.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.011 -0.995 . . . . 1.59 111.399 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -50.19 -29.89 10.29 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.049 0.54 . . . . 2.41 112.275 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.7 m -61.57 -48.63 80.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 1.46 111.504 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 46.9 t -93.1 -46.53 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.857 0.361 . . . . 1.39 111.225 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -86.73 -37.17 18.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.37 . . . . 3.18 110.891 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -70.12 -28.93 70.95 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.83 112.021 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 ttm -67.67 -23.37 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.073 -0.075 . . . . 2.31 110.805 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.1 ttt -52.78 -49.11 66.23 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.643 0.258 . . . . 3.15 110.917 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.37 79.9 Favored Glycine 0 C--O 1.224 -0.487 0 C-N-CA 120.982 -0.628 . . . . 0.66 112.495 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.6 mmt -68.88 -42.83 76.45 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.338 0.589 . . . . 2.55 110.114 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.72 -46.85 70.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.09 -0.959 . . . . 1.76 109.85 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.46 74.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.369 -0.832 . . . . 0.88 110.906 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 25.5 t -67.53 -47.68 69.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.137 -0.69 . . . . 1.61 109.137 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.434 ' HA ' ' H ' ' A' ' 348' ' ' GLY . 24.6 mt-30 -67.43 -31.83 72.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.409 . . . . 2.89 110.238 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -60.83 -57.46 12.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 3.1 111.447 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -95.4 -55.78 2.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.261 0.553 . . . . 4.89 111.938 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -83.32 -28.23 29.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.669 -0.696 . . . . 6.02 111.788 -171.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.8 t 73.36 112.95 0.06 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.374 1.047 . . . . 5.05 109.393 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' A' ' 343' ' ' GLN . . . -59.87 -54.04 40.83 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.451 -0.795 . . . . 7.18 111.753 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.45 131.76 23.93 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.038 1.825 . . . . 8.09 109.443 164.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 52.6 m -63.02 -20.95 65.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 8.86 111.638 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 101.43 116.71 4.11 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.586 -0.816 . . . . 10.03 112.826 173.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -95.73 -25.69 15.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.379 -0.601 . . . . 11.08 109.379 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -165.31 -73.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.566 -0.743 . . . . 12.07 109.719 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 48.09 44.4 19.05 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.65 -0.705 . . . . 13.09 111.61 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -138.92 -49.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 14.53 109.799 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 59.12 63.07 1.69 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.352 0.596 . . . . 16.15 110.953 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -119.72 118.87 4.06 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.967 -0.853 . . . . 15.86 110.967 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -120.81 123.39 42.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.915 0.388 . . . . 17.9 111.062 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 28.2 ttt -102.7 -38.87 7.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.53 . . . . 18.48 109.821 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.985 -1.007 . . . . 19.85 111.425 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.655 0.264 . . . . 19.56 110.615 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 60.25 25.33 14.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.021 -0.536 . . . . 17.09 110.617 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -108.87 94.74 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.81 -0.632 . . . . 17.76 109.764 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 158.97 -125.62 1.54 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.606 -0.998 . . . . 14.3 110.606 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.88 116.39 5.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.354 -0.61 . . . . 12.65 109.354 173.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -84.56 15.25 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 12.67 111.812 -172.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 21.5 m -74.57 64.46 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.897 -0.779 . . . . 10.38 108.897 168.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 68.2 mt -79.04 118.69 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 7.73 111.714 -171.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -95.73 96.93 2.53 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.528 -0.915 . . . . 7.58 108.528 169.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 323' ' ' MET . 38.2 Cg_endo -65.84 140.11 59.81 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.885 2.39 . . . . 5.2 112.988 -170.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.13 -22.39 28.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.922 -1.035 . . . . 3.54 110.933 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.9 mtt -53.05 -33.75 53.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.538 -0.756 . . . . 5.05 111.749 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 26.1 ptt? -66.52 -35.59 80.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.117 0.484 . . . . 3.62 110.484 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.27 42.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.868 -0.606 . . . . 2.32 110.259 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.839 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.83 -46.75 64.94 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.477 -0.783 . . . . 1.68 109.403 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.02 -48.81 67.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 123.79 0.681 . . . . 2.56 111.473 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.66 62.69 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 115.194 -0.912 . . . . 0.98 110.202 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.8 30.02 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 114.422 -1.263 . . . . 0.92 110.149 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.22 -6.11 12.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.69 -1.595 . . . . 1.59 110.608 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' H ' ' A' ' 335' ' ' GLY . 29.9 pt20 -46.93 -28.55 1.65 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.529 0.732 . . . . 2.41 112.769 -176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.0 t -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.096 0.474 . . . . 1.46 110.519 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 34.4 t -92.18 -47.61 7.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 1.39 111.266 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -88.4 -50.37 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.945 0.35 . . . . 3.18 111.945 -173.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 331' ' ' GLN . . . -64.48 -40.71 97.92 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.751 -0.738 . . . . 0.83 112.591 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 43.6 ttm -61.07 -27.17 68.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.164 0.186 . . . . 2.31 111.396 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.8 ttp -54.97 -43.94 73.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.191 0.52 . . . . 3.15 109.857 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.03 -46.88 6.84 Favored Glycine 0 C--O 1.222 -0.635 0 CA-C-N 115.566 -0.743 . . . . 0.66 112.339 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 56.7 mtt -60.41 -43.95 96.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.101 0.477 . . . . 2.55 111.222 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.36 -36.68 66.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.422 0.629 . . . . 1.76 109.783 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.96 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.169 -0.923 . . . . 0.88 111.157 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 62.4 m -69.57 -34.96 74.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 1.61 111.206 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -75.18 -15.74 60.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.968 0.413 . . . . 2.89 110.799 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 63.91 60.18 1.06 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.327 -0.852 . . . . 3.1 110.791 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -68.93 -8.02 40.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.603 -0.726 . . . . 4.89 110.293 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 350' ' ' SER . 85.0 mm-40 -59.68 -28.51 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 6.02 109.926 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 14.2 m 67.31 -174.08 0.19 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.246 -0.888 . . . . 5.05 111.993 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -79.18 -55.6 3.7 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 120.419 -0.896 . . . . 7.18 111.869 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.82 72.5 6.49 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.796 2.331 . . . . 8.09 110.7 170.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 346' ' ' GLN . 21.4 t -64.79 -24.01 67.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.651 -0.704 . . . . 8.86 112.025 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -171.73 36.27 0.16 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.569 -0.824 . . . . 10.03 111.658 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.65 53.85 2.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.628 0.251 . . . . 11.08 110.763 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.28 69.24 0.75 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.653 0.74 . . . . 12.07 110.383 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -97.85 68.05 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.654 0.74 . . . . 13.09 110.2 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -88.12 13.36 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 14.53 111.791 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . 0.59 HE21 ' HA ' ' A' ' 356' ' ' GLN . 0.0 OUTLIER 66.31 88.58 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.732 0.645 . . . . 16.15 111.098 -177.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 127.08 39.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.977 -0.63 . . . . 15.86 111.998 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 16.9 m120 65.12 13.29 8.61 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.959 0.504 . . . . 17.9 110.744 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.34 34.97 24.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.434 -0.803 . . . . 18.48 111.229 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.276 -0.869 . . . . 19.85 109.679 176.794 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.69 0.281 . . . . 19.56 111.055 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -88.07 110.65 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 17.09 110.242 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.08 118.71 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.867 -0.606 . . . . 17.76 111.034 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 179.58 -158.24 21.9 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.461 -0.656 . . . . 14.3 111.461 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -77.87 91.73 4.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.954 0.377 . . . . 12.65 110.5 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -66.28 -60.08 3.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.865 -0.607 . . . . 12.67 111.855 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 17.9 p -97.45 -99.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 10.38 112.126 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . 0.527 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 47.2 mt -121.62 145.64 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 7.73 110.85 -172.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -99.23 94.34 2.66 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 108.99 -0.744 . . . . 7.58 108.99 171.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 96.3 Cg_endo -85.28 53.24 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.832 2.354 . . . . 5.2 112.736 -172.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.265 -0.425 . . . . 3.54 111.02 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.0 ptm -75.37 -35.34 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 5.05 110.717 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.621 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 24.0 mmt -66.88 -37.01 83.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.03 0.443 . . . . 3.62 110.558 -178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.87 84.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.619 . . . . 2.32 110.368 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.09 77.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.81 109.994 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -63.89 -48.6 75.98 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.738 -0.664 . . . . 1.68 109.52 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 323' ' ' MET . 11.9 mm100 -57.01 -48.92 77.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.995 0.426 . . . . 2.56 111.052 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.36 95.29 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.438 -0.801 . . . . 0.98 110.842 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.28 26.2 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.938 -1.028 . . . . 0.92 110.758 -172.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.4 tp -71.63 -10.31 59.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.612 -1.176 . . . . 1.59 110.309 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -52.04 -28.91 18.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.562 -0.744 . . . . 2.41 112.102 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 p -59.48 -48.04 83.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.053 0.454 . . . . 1.46 111.164 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 337' ' ' MET . 30.6 t -88.67 -46.12 9.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.028 -0.533 . . . . 1.39 110.901 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -86.03 -29.75 23.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.049 -0.523 . . . . 3.18 111.454 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -63.66 -43.88 97.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.765 -0.731 . . . . 0.83 112.418 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.16 -28.02 66.93 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.933 -0.307 . . . . 2.31 111.03 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 333' ' ' SER . 24.7 mmt -57.69 -47.79 81.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 3.15 110.067 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.31 76.07 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-N 115.725 -0.671 . . . . 0.66 112.048 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 62.0 mtt -60.49 -43.02 97.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 117.703 0.751 . . . . 2.55 110.514 -178.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.9 -46.7 80.61 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.379 -0.828 . . . . 1.76 109.94 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.76 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.113 -0.949 . . . . 0.88 111.935 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 58.1 p -70.75 -34.76 72.19 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.725 0.298 . . . . 1.61 111.379 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -73.17 -15.04 61.47 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.179 -0.464 . . . . 2.89 111.259 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 66.32 46.49 1.98 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.438 -0.801 . . . . 3.1 110.821 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.75 -27.63 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.347 0.594 . . . . 4.89 109.991 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -65.87 -28.46 68.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.054 -0.976 . . . . 6.02 110.381 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 49.5 m -104.21 15.41 28.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 5.05 110.785 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.62 41.69 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.897 -0.592 . . . . 7.18 112.774 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 5.41 4.5 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.467 2.111 . . . . 8.09 113.012 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 47.4 t -75.34 -21.41 58.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 8.86 110.584 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -159.1 -155.5 7.67 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.7 -0.762 . . . . 10.03 111.566 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -105.66 128.36 53.61 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 110.078 -0.342 . . . . 11.08 110.078 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -61.01 109.34 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.414 -0.588 . . . . 12.07 109.414 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.511 ' H ' ' CD ' ' A' ' 354' ' ' GLN . 0.4 OUTLIER -86.91 31.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.154 0.798 . . . . 13.09 113.154 -166.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -176.0 108.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.49 -0.189 . . . . 14.53 110.49 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 68.5 39.36 2.16 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.988 0.805 . . . . 16.15 110.395 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -154.1 35.29 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 15.86 112.264 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.19 164.59 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.272 -0.64 . . . . 17.9 109.272 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.44 29.5 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.86 0.362 . . . . 18.48 110.816 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.714 -0.66 . . . . 19.85 109.931 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 121.021 0.438 . . . . 19.56 109.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -103.21 68.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.057 0.456 . . . . 17.09 111.253 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -110.57 23.53 14.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.761 0.791 . . . . 17.76 109.44 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -151.09 104.78 0.27 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.704 -1.135 . . . . 14.3 110.532 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -67.53 -76.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.587 0.232 . . . . 12.65 111.397 -174.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.62 -81.24 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.488 -0.56 . . . . 12.67 109.488 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.8 t -78.95 109.13 12.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.413 -0.588 . . . . 10.38 109.413 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 10.9 tt -62.37 -33.57 59.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.048 -0.524 . . . . 7.73 111.012 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.464 ' HA ' ' HD2' ' A' ' 320' ' ' PRO . 62.1 m-80 -134.85 113.03 11.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.285 -0.416 . . . . 7.58 109.896 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 319' ' ' ASN . 14.2 Cg_endo -57.61 -18.33 32.33 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.418 2.745 . . . . 5.2 112.638 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.51 70.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.409 -0.36 . . . . 3.54 111.128 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 14.3 tpt -67.2 -39.74 86.37 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.102 0.477 . . . . 5.05 110.421 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 2.0 tmt? -66.9 -37.97 85.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 3.62 109.963 177.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.59 81.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 2.32 110.563 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.84 72.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 1.81 110.264 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.67 -35.8 73.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 1.68 109.87 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 323' ' ' MET . 15.9 mm100 -58.36 -38.3 76.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.194 0.309 . . . . 2.56 111.45 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.31 -45.07 68.83 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.978 0.894 . . . . 0.98 110.281 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.24 24.67 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.346 -1.297 . . . . 0.92 109.944 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.66 -8.15 49.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 113.738 -1.573 . . . . 1.59 111.292 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.79 -30.44 14.2 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.378 0.51 . . . . 2.41 112.378 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.0 t -74.99 -44.92 45.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.948 0.404 . . . . 1.46 110.406 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.9 m -83.63 -46.94 11.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 1.39 111.25 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -88.81 -39.17 14.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.758 0.313 . . . . 3.18 110.676 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.88 74.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.159 -0.543 . . . . 0.83 113.288 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.42 -22.69 62.7 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.659 -0.318 . . . . 2.31 110.852 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 56.4 ttp -54.91 -46.74 74.89 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.706 0.288 . . . . 3.15 110.675 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.45 94.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.9 -0.667 . . . . 0.66 111.973 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.334 0.588 . . . . 2.55 110.159 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.37 -46.94 68.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.806 -1.088 . . . . 1.76 110.514 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.57 71.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.527 -0.76 . . . . 0.88 111.545 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 46.8 t -68.71 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.61 111.026 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.69 -15.09 60.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 2.89 111.124 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 65.0 53.34 1.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.565 -0.743 . . . . 3.1 110.632 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -74.47 1.07 12.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.405 -0.816 . . . . 4.89 110.322 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -63.54 -28.04 69.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.063 -0.971 . . . . 6.02 110.089 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 21.3 m 50.16 65.48 1.42 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.607 0.567 . . . . 5.05 110.676 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -70.01 -55.45 9.31 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.753 -0.658 . . . . 7.18 113.89 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.54 103.41 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.348 2.032 . . . . 8.09 112.793 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 18.1 m -87.18 -22.95 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 8.86 109.416 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -95.74 107.21 3.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.568 -0.742 . . . . 10.03 111.39 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -91.94 179.88 5.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.857 0.361 . . . . 11.08 111.162 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -83.2 150.44 26.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 12.07 110.868 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.63 -166.77 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.742 -0.663 . . . . 13.09 109.769 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 59.28 33.7 22.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.334 0.588 . . . . 14.53 110.404 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -175.44 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.379 -0.971 . . . . 16.15 108.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -95.87 74.54 0.83 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.117 -1.193 . . . . 15.86 110.117 170.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.29 112.39 0.87 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 17.9 110.931 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 46.0 tpp -96.98 125.53 41.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.597 -0.728 . . . . 18.48 111.041 -171.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.726 -0.654 . . . . 19.85 110.415 177.388 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.838 0.351 . . . . 19.56 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -85.94 161.03 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.175 -0.306 . . . . 17.09 110.175 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -119.82 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.209 0.528 . . . . 17.76 110.584 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 86.17 40.4 7.49 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.725 -0.75 . . . . 14.3 112.297 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -120.49 -1.8 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.543 0.211 . . . . 12.65 110.716 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 66.7 t80 64.11 -85.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.67 -0.696 . . . . 12.67 110.988 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 75.2 m -160.04 -89.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.496 -0.32 . . . . 10.38 110.427 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 29.8 mm -126.9 84.49 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.086 0.469 . . . . 7.73 110.286 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -135.8 70.88 64.63 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.4 -0.364 . . . . 7.58 111.251 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.42 -36.8 92.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.805 2.337 . . . . 5.2 112.063 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.93 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 3.54 111.356 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.29 -41.36 81.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 5.05 110.804 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.1 -35.85 80.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 3.62 110.621 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.77 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 2.32 110.711 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.88 85.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.125 0.488 . . . . 1.81 109.985 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -66.06 -48.4 71.14 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.313 -0.858 . . . . 1.68 110.015 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.493 ' HA ' ' OE1' ' A' ' 327' ' ' GLN . 5.1 tp60 -56.29 -45.96 79.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 2.56 111.375 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.88 88.58 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.98 110.878 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.4 -49.11 11.91 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.221 -0.899 . . . . 0.92 110.721 -170.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 25.2 mt -67.48 -6.7 20.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.452 -1.249 . . . . 1.59 111.052 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -51.5 -27.84 11.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.045 0.45 . . . . 2.41 111.221 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.4 t -61.47 -46.61 89.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.564 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.8 m -86.01 -43.48 13.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 1.39 111.263 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -85.35 -41.01 15.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 3.18 110.725 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -65.04 -28.01 72.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.243 -0.503 . . . . 0.83 112.668 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.7 tpp -60.09 -23.72 64.03 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 120.241 0.067 . . . . 2.31 111.16 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.44 -40.85 88.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 3.15 110.291 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.17 -34.68 29.06 Favored Glycine 0 CA--C 1.505 -0.565 0 C-N-CA 121.026 -0.606 . . . . 0.66 112.084 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 71.8 mtp -63.66 -43.46 96.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.263 0.554 . . . . 2.55 109.804 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.11 -46.26 74.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.976 -1.011 . . . . 1.76 109.334 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.18 79.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.418 -0.81 . . . . 0.88 111.448 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 67.8 m -70.56 -45.23 65.83 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 1.61 110.556 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.42 -34.21 77.45 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.878 -0.601 . . . . 2.89 110.588 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 68.8 109.13 0.05 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.484 0.659 . . . . 3.1 110.599 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -67.72 -24.64 65.4 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.286 -0.87 . . . . 4.89 110.829 -171.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.9 -37.55 76.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.875 -0.602 . . . . 6.02 110.057 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m 60.22 15.92 5.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.018 -0.992 . . . . 5.05 112.365 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -61.02 -53.8 42.08 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.11 -0.567 . . . . 7.18 112.697 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 19.3 Cg_endo -61.89 122.73 11.39 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.238 1.959 . . . . 8.09 111.773 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.3 p -72.14 -23.82 61.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 8.86 110.914 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -169.85 159.2 31.75 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.402 -0.679 . . . . 10.03 111.402 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -114.94 -59.45 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.759 0.314 . . . . 11.08 110.242 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -130.26 -62.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 12.07 110.994 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.491 ' HG2' ' HB2' ' A' ' 358' ' ' ASN . 6.5 tp-100 -133.1 136.7 46.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 13.09 110.328 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -121.3 -59.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 14.53 110.978 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -106.02 76.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.171 0.51 . . . . 16.15 111.026 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 140.53 176.09 14.98 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.601 -0.727 . . . . 15.86 112.171 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . 0.491 ' HB2' ' HG2' ' A' ' 354' ' ' GLN . 17.0 m120 57.4 31.96 21.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.909 0.385 . . . . 17.9 111.548 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 49.4 ttm -130.42 129.46 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.491 . . . . 18.48 110.258 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.067 -0.968 . . . . 19.85 109.552 179.343 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.915 0.388 . . . . 19.56 110.217 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -159.7 117.65 2.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.947 -0.57 . . . . 17.09 110.223 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -104.14 -34.97 8.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 17.76 109.897 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 166.71 -144.28 8.97 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.713 -0.756 . . . . 14.3 112.448 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -87.87 106.82 18.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.937 0.398 . . . . 12.65 111.167 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.73 -35.52 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.135 -0.484 . . . . 12.67 110.389 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 33.7 t -80.0 69.54 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 10.38 110.763 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . 0.462 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 26.4 pt -139.14 151.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.616 -0.72 . . . . 7.73 109.81 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 16.9 m120 -96.08 100.77 7.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.141 -0.689 . . . . 7.58 109.141 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 9.6 Cg_endo -88.68 124.76 1.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.264 2.643 . . . . 5.2 112.838 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.792 -0.64 . . . . 3.54 110.986 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.4 ttt -60.02 -43.02 95.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.917 -0.583 . . . . 5.05 110.986 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -64.07 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 3.62 110.238 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.24 79.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.763 -0.653 . . . . 2.32 110.661 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.02 76.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 1.81 110.509 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -68.48 -36.22 78.64 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.695 -0.684 . . . . 1.68 110.194 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.39 -50.24 70.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.238 0.542 . . . . 2.56 111.547 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.56 84.27 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.344 -0.844 . . . . 0.98 110.295 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -80.97 -34.3 33.21 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.366 -1.288 . . . . 0.92 110.295 -170.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 12.1 tp -69.16 -4.61 18.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.011 -1.449 . . . . 1.59 110.807 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -42.88 -29.88 0.36 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.483 0.92 . . . . 2.41 113.483 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 p -60.72 -47.84 84.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.061 0.458 . . . . 1.46 111.186 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 9.6 p -96.0 -45.16 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.177 -0.465 . . . . 1.39 111.424 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.016 0.436 . . . . 3.18 110.942 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . -68.95 -28.92 72.6 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.641 -0.79 . . . . 0.83 112.42 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.4 tpp -66.84 -23.76 66.07 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.796 -0.238 . . . . 2.31 111.012 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 52.5 ttp -56.52 -46.23 80.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 3.15 110.233 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -69.93 -39.76 74.68 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.826 -0.702 . . . . 0.66 111.851 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.551 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 21.0 mmt -60.76 -42.91 98.39 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.123 0.487 . . . . 2.55 109.942 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.74 -46.04 80.35 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.082 -0.963 . . . . 1.76 110.541 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.86 74.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.443 -0.799 . . . . 0.88 111.169 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 68.7 m -68.72 -24.55 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 1.61 110.629 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 339' ' ' MET . 52.5 mt-30 -75.65 -13.95 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 2.89 111.174 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 66.41 29.62 9.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.294 -0.866 . . . . 3.1 110.16 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -68.0 -11.8 59.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.49 -0.777 . . . . 4.89 110.049 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.82 -28.09 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.967 -1.015 . . . . 6.02 109.978 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 46.7 m -106.34 107.31 18.25 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.428 -0.805 . . . . 5.05 109.938 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . 0.531 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -60.75 -47.61 90.36 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.311 -0.858 . . . . 7.18 114.409 -177.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 24.7 Cg_endo -62.87 87.15 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.484 2.123 . . . . 8.09 112.981 178.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 17.1 p -86.86 -28.48 22.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 8.86 110.408 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 105.44 -108.27 2.99 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.787 -0.721 . . . . 10.03 112.064 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -114.93 53.33 0.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.073 0.463 . . . . 11.08 110.772 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.07 94.8 0.36 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 12.07 110.937 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 57.34 63.76 1.78 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.341 -0.845 . . . . 13.09 111.347 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 69.67 157.33 0.15 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.705 0.764 . . . . 14.53 111.866 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -91.08 8.71 34.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.75 . . . . 16.15 111.225 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -179.99 168.9 39.42 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.946 -0.645 . . . . 15.86 112.027 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 61.73 81.36 0.2 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.002 0.521 . . . . 17.9 112.292 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 360' ' ' GLN . 51.6 ttm -89.22 -54.1 4.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.555 -0.906 . . . . 18.48 108.555 172.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . 0.94 HE21 ' HA ' ' A' ' 360' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.855 -1.066 . . . . 19.85 108.45 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 110.04 -0.355 . . . . 19.56 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -54.14 -51.36 64.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.945 0.402 . . . . 17.09 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -86.39 111.72 20.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.053 -0.721 . . . . 17.76 109.053 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -151.21 144.86 12.24 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.429 -0.891 . . . . 14.3 112.103 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -102.54 8.34 39.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.115 0.483 . . . . 12.65 110.481 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.67 28.98 5.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 12.67 109.726 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.8 m -80.47 75.13 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.709 -0.678 . . . . 10.38 111.822 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . 0.46 HG22 ' H ' ' A' ' 321' ' ' ALA . 38.1 mm 64.19 95.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.698 -0.683 . . . . 7.73 112.004 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.607 ' N ' ' HD2' ' A' ' 320' ' ' PRO . 14.9 m120 -68.02 -43.31 35.71 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.855 0.687 . . . . 7.58 112.855 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 319' ' ' ASN . 12.1 Cg_endo -56.75 -28.15 74.69 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.143 1.895 . . . . 5.2 112.754 178.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.46 ' H ' HG22 ' A' ' 318' ' ' ILE . . . -65.89 -42.37 90.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.929 0.395 . . . . 3.54 110.235 177.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 38.9 tpp -65.47 -42.94 91.73 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.759 -0.655 . . . . 5.05 110.21 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.69 -38.9 82.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.036 0.446 . . . . 3.62 111.034 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.93 58.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 2.32 110.727 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.7 76.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.868 -0.605 . . . . 1.81 110.353 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 330' ' ' LEU . . . -67.7 -48.34 66.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.001 -0.545 . . . . 1.68 109.943 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -55.83 -51.12 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.239 0.542 . . . . 2.56 110.691 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.53 95.44 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 114.845 -1.071 . . . . 0.98 110.456 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -81.44 -34.81 31.26 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.938 -1.028 . . . . 0.92 110.312 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 326' ' ' ALA . 4.9 mt -69.01 -6.12 25.97 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.66 -1.609 . . . . 1.59 111.202 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -52.33 -25.51 9.81 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.206 0.316 . . . . 2.41 111.592 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.6 p -60.22 -45.63 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 1.46 110.79 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 -46.33 11.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.662 -0.699 . . . . 1.39 110.858 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -87.4 -49.8 6.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 3.18 111.697 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . 0.577 ' O ' ' HG3' ' A' ' 339' ' ' MET . . . -64.02 -43.64 97.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.673 -0.775 . . . . 0.83 112.462 -175.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 49.1 tpp -68.77 -24.22 64.4 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 121.247 -0.181 . . . . 2.31 110.653 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 48.4 ttm -58.13 -44.28 87.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 3.15 109.781 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -75.56 -38.13 38.67 Favored Glycine 0 C--O 1.22 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.66 112.116 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 335' ' ' GLY . 61.2 mtt -61.39 -42.24 98.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 117.505 0.653 . . . . 2.55 110.21 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.42 -45.67 79.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.585 -0.734 . . . . 1.76 110.07 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.04 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.54 -0.755 . . . . 0.88 110.828 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.1 t -70.44 -30.57 67.45 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.238 -0.437 . . . . 1.61 110.072 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.05 -21.4 60.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.787 -0.642 . . . . 2.89 110.058 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 62.32 71.49 0.53 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.666 -0.697 . . . . 3.1 110.689 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -70.55 -23.07 62.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.533 -0.758 . . . . 4.89 110.265 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -63.92 -28.97 70.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.519 -0.764 . . . . 6.02 109.896 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 33.1 m -112.27 25.91 11.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.667 -0.697 . . . . 5.05 109.798 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . 0.481 ' N ' ' HD2' ' A' ' 349' ' ' PRO . . . -61.82 -53.99 38.9 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.446 -0.797 . . . . 7.18 112.643 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 348' ' ' GLY . 18.2 Cg_endo -60.96 141.27 94.01 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.326 2.017 . . . . 8.09 111.778 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.8 p -74.84 -25.61 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 8.86 110.945 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -112.89 142.36 17.32 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.197 -0.761 . . . . 10.03 111.197 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -61.07 155.61 19.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.575 0.226 . . . . 11.08 110.742 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -75.75 67.95 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.502 0.668 . . . . 12.07 111.072 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.467 ' HG3' ' H ' ' A' ' 356' ' ' GLN . 8.6 tp-100 -144.18 152.66 41.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.392 -0.822 . . . . 13.09 108.875 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -76.24 -12.36 60.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.706 0.289 . . . . 14.53 111.14 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . 0.467 ' H ' ' HG3' ' A' ' 354' ' ' GLN . 35.4 tt0 -140.9 88.76 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 16.15 110.258 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -145.72 56.92 0.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.389 -0.684 . . . . 15.86 111.389 178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -82.54 112.39 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.234 . . . . 17.9 110.757 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 26.5 mmt 67.18 -73.84 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.813 0.695 . . . . 18.48 112.064 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.548 -0.739 . . . . 19.85 109.668 -176.256 . . . . . . . . 0 0 . 1 stop_ save_