data_1aqg_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 1aqg _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.12 -45.57 2.84 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.42 3.088 . . . . 0.0 109.858 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -50.21 65.35 Favored 'General case' 0 C--N 1.368 1.375 1 C-N-CA 133.455 4.702 . . . . 0.0 115.446 175.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -8.46 0.79 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 128.384 2.674 . . . . 0.0 118.158 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.4 pt? -125.36 -38.46 2.28 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 129.667 3.187 . . . . 0.0 112.1 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.524 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.5 OUTLIER -64.42 -38.47 91.13 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 128.22 2.608 . . . . 0.0 115.227 172.064 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.524 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 6.7 m-20 -100.64 31.02 3.66 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 129.134 2.973 . . . . 0.0 112.276 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 54.5 m -135.91 -62.25 0.69 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 131.104 3.762 . . . . 0.0 108.827 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 152.05 67.38 0.01 OUTLIER Glycine 0 C--N 1.38 2.986 0 C-N-CA 125.333 1.444 . . . . 0.0 116.057 173.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.48 -83.8 0.4 Allowed 'General case' 0 C--N 1.372 1.563 0 C-N-CA 125.622 1.569 . . . . 0.0 112.308 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.825 0 C-N-CA 127.051 2.14 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.721 2.008 . . . . 0.0 109.312 170.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -52.37 2.15 Favored 'General case' 0 C--N 1.363 1.194 1 C-N-CA 132.836 4.454 . . . . 0.0 117.121 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -56.59 -21.55 27.57 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.828 2.851 . . . . 0.0 118.223 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 2.1 pt? -124.27 -38.41 2.44 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.485 2.714 . . . . 0.0 113.861 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -34.91 78.86 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 129.617 3.167 . . . . 0.0 114.961 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -96.52 7.07 47.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 127.184 2.194 . . . . 0.0 113.69 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 10.0 t -103.13 -61.15 1.44 Allowed 'General case' 0 C--N 1.374 1.65 0 C-N-CA 129.395 3.078 . . . . 0.0 109.783 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 148.65 51.62 0.02 OUTLIER Glycine 0 C--N 1.376 2.756 0 C-N-CA 126.031 1.777 . . . . 0.0 116.757 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 2.5 tt -118.55 -81.33 0.63 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.371 1.868 . . . . 0.0 112.61 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.809 0 C-N-CA 126.98 2.112 . . . . 0.0 111.354 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 119.821 -0.133 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.08 -48.09 2.55 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.826 2.85 . . . . 0.0 109.672 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -49.5 62.44 Favored 'General case' 0 C--N 1.365 1.25 1 C-N-CA 133.19 4.596 . . . . 0.0 116.221 174.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -9.42 0.83 Allowed 'General case' 0 C--N 1.378 1.837 0 C-N-CA 128.969 2.907 . . . . 0.0 118.689 174.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.3 1.6 pt? -127.19 -37.92 2.02 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 129.637 3.175 . . . . 0.0 112.236 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.523 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.5 OUTLIER -62.72 -37.81 87.99 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.279 2.632 . . . . 0.0 114.884 171.055 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.523 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 6.2 m-20 -103.27 34.93 2.72 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.685 2.394 . . . . 0.0 111.717 175.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 49.8 m -138.68 -63.86 0.53 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 131.402 3.881 . . . . 0.0 108.672 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 151.58 68.68 0.01 OUTLIER Glycine 0 C--N 1.379 2.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.744 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.94 -82.67 0.29 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.683 1.593 . . . . 0.0 111.646 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.902 0 C-N-CA 126.661 1.984 . . . . 0.0 113.0 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -116.83 -46.27 2.75 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.456 3.103 . . . . 0.0 110.366 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -50.57 66.65 Favored 'General case' 0 C--N 1.369 1.423 1 C-N-CA 133.21 4.604 . . . . 0.0 115.091 176.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -11.28 0.55 Allowed 'General case' 0 C--N 1.378 1.841 0 C-N-CA 129.361 3.065 . . . . 0.0 118.25 174.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.6 pt? -124.3 -40.56 2.24 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 130.098 3.359 . . . . 0.0 112.319 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.489 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 1.1 ttpm? -61.83 -38.35 87.86 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 128.41 2.684 . . . . 0.0 115.91 173.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.489 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.2 m-20 -94.16 -0.12 55.43 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.132 2.973 . . . . 0.0 113.715 177.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 97.6 m -102.7 -56.65 2.2 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 130.321 3.449 . . . . 0.0 110.897 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.62 65.96 0.01 OUTLIER Glycine 0 C--N 1.38 2.998 0 C-N-CA 126.189 1.852 . . . . 0.0 116.765 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -134.96 -82.62 0.43 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.714 1.606 . . . . 0.0 112.806 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 2.008 0 C-N-CA 126.823 2.049 . . . . 0.0 112.479 -175.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.501 2.107 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.523 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.7 tptt -114.12 -60.04 1.94 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.645 2.778 . . . . 0.0 108.357 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -54.1 6.79 Favored 'General case' 0 C--N 1.364 1.221 1 C-N-CA 133.964 4.906 . . . . 0.0 116.887 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -53.81 -20.43 5.75 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.9 pt? -121.4 -34.01 3.54 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.924 2.89 . . . . 0.0 113.609 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.551 ' HZ3' ' CG ' ' A' ' 346' ' ' ASP . 1.5 tmmt? -61.27 -52.12 66.08 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 129.218 3.007 . . . . 0.0 113.001 170.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.551 ' CG ' ' HZ3' ' A' ' 345' ' ' LYS . 42.4 m-20 -79.76 2.14 24.03 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.749 2.419 . . . . 0.0 115.061 175.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 14.9 t -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 130.37 3.468 . . . . 0.0 109.867 167.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 135.6 38.68 0.17 Allowed Glycine 0 C--N 1.376 2.776 0 C-N-CA 126.852 2.168 . . . . 0.0 117.392 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.2 -63.61 1.12 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.63 1.972 . . . . 0.0 114.024 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.523 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 -177.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.497 ' HZ1' ' C ' ' A' ' 350' ' ' PHE . 41.7 tptt -112.92 -53.8 2.68 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 128.627 2.771 . . . . 0.0 109.154 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -50.32 30.26 Favored 'General case' 0 C--N 1.365 1.272 1 C-N-CA 133.401 4.68 . . . . 0.0 116.306 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -57.87 -8.92 1.09 Allowed 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 129.289 3.036 . . . . 0.0 118.102 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.8 pt? -131.42 -44.49 1.01 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.462 3.105 . . . . 0.0 112.415 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.491 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 1.0 OUTLIER -63.77 -37.08 86.03 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 128.307 2.643 . . . . 0.0 115.615 175.139 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.491 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.6 m-20 -99.41 11.26 39.62 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 128.069 2.547 . . . . 0.0 113.071 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 90.2 m -113.18 -61.0 1.8 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 130.477 3.511 . . . . 0.0 109.928 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.53 67.1 0.01 OUTLIER Glycine 0 C--N 1.375 2.738 0 C-N-CA 125.565 1.555 . . . . 0.0 116.779 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.26 12.4 tp -140.14 -88.36 0.19 Allowed 'General case' 0 C--N 1.37 1.498 0 C-N-CA 125.581 1.552 . . . . 0.0 112.779 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.497 ' C ' ' HZ1' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.875 0 C-N-CA 126.224 1.81 . . . . 0.0 112.208 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 21.8 mm . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 119.453 -0.308 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -115.26 -56.04 2.4 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.871 2.468 . . . . 0.0 109.524 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -47.57 5.03 Favored 'General case' 0 C--N 1.366 1.321 1 C-N-CA 132.763 4.425 . . . . 0.0 116.738 176.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.15 -11.36 5.95 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 128.668 2.787 . . . . 0.0 118.4 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.314 1.9 pt? -132.25 -44.36 0.93 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.685 2.394 . . . . 0.0 113.401 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.522 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.6 OUTLIER -64.13 -38.57 91.53 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 130.112 3.365 . . . . 0.0 114.825 176.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.522 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.0 m-20 -100.77 9.61 42.18 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 128.116 2.566 . . . . 0.0 113.099 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 91.4 m -111.56 -58.64 2.09 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 129.882 3.273 . . . . 0.0 110.556 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 156.57 58.25 0.01 OUTLIER Glycine 0 C--N 1.384 3.218 0 N-CA-C 117.173 1.629 . . . . 0.0 117.173 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.266 19.8 tp -137.88 -93.42 0.21 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 126.086 1.755 . . . . 0.0 112.06 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.377 1.785 0 C-N-CA 126.655 1.982 . . . . 0.0 111.903 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.521 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 46.1 tptt -113.38 -55.95 2.46 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 129.029 2.931 . . . . 0.0 109.392 177.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -53.54 7.46 Favored 'General case' 0 CA--C 1.558 1.256 1 C-N-CA 133.21 4.604 . . . . 0.0 117.089 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -54.7 -21.19 10.04 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.818 2.847 . . . . 0.0 117.97 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.8 pt? -118.39 -35.67 3.72 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.888 2.875 . . . . 0.0 113.799 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -48.73 73.26 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 129.375 3.07 . . . . 0.0 113.31 172.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.87 10.41 9.73 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 127.703 2.401 . . . . 0.0 114.282 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.9 t -107.46 -61.64 1.53 Allowed 'General case' 0 C--N 1.374 1.671 0 C-N-CA 130.554 3.542 . . . . 0.0 109.407 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.34 56.13 0.03 OUTLIER Glycine 0 C--N 1.376 2.789 0 C-N-CA 126.269 1.89 . . . . 0.0 115.924 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -118.94 -74.24 0.61 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.286 1.835 . . . . 0.0 112.812 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.521 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.267 1.986 0 C-N-CA 125.984 1.714 . . . . 0.0 113.096 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -113.07 -57.73 2.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 127.519 2.327 . . . . 0.0 109.137 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -49.7 2.71 Favored 'General case' 0 CA--C 1.563 1.448 1 C-N-CA 132.625 4.37 . . . . 0.0 117.105 176.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.22 -11.27 3.7 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 129.097 2.959 . . . . 0.0 117.993 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.321 2.0 pt? -132.56 -43.46 0.92 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.373 2.669 . . . . 0.0 113.211 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.49 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.7 OUTLIER -63.16 -36.72 84.55 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 130.33 3.452 . . . . 0.0 115.497 175.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.49 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.9 m-20 -102.75 13.31 34.74 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 128.03 2.532 . . . . 0.0 112.908 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 94.3 m -116.95 -58.16 2.1 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 130.315 3.446 . . . . 0.0 110.328 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.03 62.34 0.01 OUTLIER Glycine 0 C--N 1.376 2.754 0 C-N-CA 125.59 1.567 . . . . 0.0 116.645 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.26 -88.56 0.24 Allowed 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.721 1.608 . . . . 0.0 111.433 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.896 0 C-N-CA 126.582 1.953 . . . . 0.0 111.769 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.171 0.034 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.514 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.3 tptt -115.47 -52.77 2.64 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.021 2.928 . . . . 0.0 109.038 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -50.46 29.48 Favored 'General case' 0 CA--C 1.561 1.379 1 C-N-CA 132.797 4.439 . . . . 0.0 115.983 177.213 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.92 -9.11 1.18 Allowed 'General case' 0 C--N 1.375 1.7 0 C-N-CA 129.009 2.924 . . . . 0.0 118.381 174.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.292 1.9 pt? -131.06 -42.74 1.08 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.489 3.116 . . . . 0.0 112.14 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.502 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.9 OUTLIER -65.15 -35.55 81.44 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.762 2.825 . . . . 0.0 115.324 174.167 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.6 m-20 -100.62 18.0 20.38 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 127.972 2.509 . . . . 0.0 113.021 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.91 -61.77 1.41 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 130.367 3.467 . . . . 0.0 109.834 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.67 68.47 0.01 OUTLIER Glycine 0 C--N 1.378 2.881 0 C-N-CA 125.304 1.431 . . . . 0.0 115.98 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.7 tt -138.67 -85.31 0.26 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.756 1.622 . . . . 0.0 112.037 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.514 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.799 0 C-N-CA 126.527 1.931 . . . . 0.0 111.885 -176.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -115.15 -55.85 2.43 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.998 2.519 . . . . 0.0 109.031 176.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -48.85 3.71 Favored 'General case' 0 CA--C 1.56 1.357 1 C-N-CA 132.524 4.33 . . . . 0.0 116.74 176.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.47 -9.23 3.41 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.965 2.906 . . . . 0.0 118.163 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.312 1.9 pt? -134.35 -43.35 0.78 Allowed 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.986 2.514 . . . . 0.0 113.536 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.494 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.8 OUTLIER -64.1 -37.66 88.24 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.05 3.34 . . . . 0.0 115.372 175.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.494 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.2 m-20 -99.82 4.23 45.15 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 128.378 2.671 . . . . 0.0 113.688 176.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 84.3 m -107.2 -57.48 2.07 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.798 3.239 . . . . 0.0 110.651 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.59 60.67 0.01 OUTLIER Glycine 0 C--N 1.379 2.942 0 N-CA-C 117.806 1.882 . . . . 0.0 117.806 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 17.9 tp -139.18 -90.63 0.19 Allowed 'General case' 0 C--N 1.37 1.493 0 C-N-CA 125.952 1.701 . . . . 0.0 111.565 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.815 0 C-N-CA 126.442 1.897 . . . . 0.0 111.706 -177.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.533 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 44.1 tptt -114.97 -56.53 2.37 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.504 2.722 . . . . 0.0 108.503 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -51.96 7.16 Favored 'General case' 0 C--N 1.369 1.452 1 C-N-CA 133.174 4.59 . . . . 0.0 116.586 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.09 -20.1 9.01 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 129.134 2.974 . . . . 0.0 118.247 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.311 2.0 pt? -121.04 -36.66 3.09 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.249 2.62 . . . . 0.0 113.825 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.404 ' HZ3' ' CG ' ' A' ' 346' ' ' ASP . 0.0 OUTLIER -63.29 -42.73 99.1 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 128.773 2.829 . . . . 0.0 113.555 172.614 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.404 ' CG ' ' HZ3' ' A' ' 345' ' ' LYS . 4.6 m-20 -90.07 2.21 55.48 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 128.613 2.765 . . . . 0.0 114.036 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.64 -58.28 1.91 Allowed 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.252 3.021 . . . . 0.0 110.699 171.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.02 55.06 0.03 OUTLIER Glycine 0 C--N 1.375 2.7 0 C-N-CA 126.432 1.968 . . . . 0.0 116.111 175.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.14 -77.52 0.59 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.272 1.829 . . . . 0.0 112.47 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.533 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.884 0 C-N-CA 126.239 1.816 . . . . 0.0 112.177 -177.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.06 -44.62 2.9 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 129.611 3.164 . . . . 0.0 110.517 -177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -50.1 69.63 Favored 'General case' 0 C--N 1.369 1.446 1 C-N-CA 133.199 4.6 . . . . 0.0 115.423 175.465 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -5.5 0.32 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 128.751 2.82 . . . . 0.0 118.502 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.279 1.5 pt? -129.39 -39.52 1.49 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.988 3.315 . . . . 0.0 111.838 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.513 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.6 OUTLIER -63.91 -38.5 91.32 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.633 2.773 . . . . 0.0 115.159 171.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.513 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 6.0 m-20 -101.21 31.71 3.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 128.416 2.686 . . . . 0.0 111.903 175.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 57.7 m -137.32 -64.54 0.56 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 130.902 3.681 . . . . 0.0 108.209 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.69 65.99 0.01 OUTLIER Glycine 0 C--N 1.374 2.662 0 C-N-CA 125.277 1.418 . . . . 0.0 116.446 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 15.3 tp -138.13 -84.05 0.3 Allowed 'General case' 0 C--N 1.367 1.36 0 CA-C-N 118.804 1.302 . . . . 0.0 112.167 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.266 1.944 0 C-N-CA 126.049 1.74 . . . . 0.0 112.932 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.504 2.254 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.54 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.5 tptt -115.36 -58.67 2.1 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 129.061 2.944 . . . . 0.0 108.651 176.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.73 -53.34 9.6 Favored 'General case' 0 C--N 1.362 1.123 1 C-N-CA 133.524 4.729 . . . . 0.0 116.482 178.113 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -53.9 -18.47 3.42 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.789 2.835 . . . . 0.0 118.624 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.295 1.9 pt? -122.62 -35.98 2.99 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.876 2.87 . . . . 0.0 113.013 177.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.451 ' HZ3' ' CG ' ' A' ' 346' ' ' ASP . 0.0 OUTLIER -64.62 -40.38 95.39 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 129.13 2.972 . . . . 0.0 113.769 171.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.451 ' CG ' ' HZ3' ' A' ' 345' ' ' LYS . 18.3 m-20 -92.26 10.09 31.12 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 128.036 2.534 . . . . 0.0 113.881 174.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.08 -61.4 1.55 Allowed 'General case' 0 C--N 1.374 1.673 0 C-N-CA 130.177 3.391 . . . . 0.0 109.35 171.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 145.8 52.08 0.03 OUTLIER Glycine 0 C--N 1.379 2.929 0 C-N-CA 126.54 2.019 . . . . 0.0 115.934 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -118.08 -77.35 0.57 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 126.243 1.817 . . . . 0.0 113.557 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.54 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.777 0 C-N-CA 126.036 1.735 . . . . 0.0 112.521 -175.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.483 ' HZ1' ' C ' ' A' ' 350' ' ' PHE . 44.3 tptt -115.49 -51.74 2.68 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.071 2.948 . . . . 0.0 109.604 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -49.76 35.13 Favored 'General case' 0 C--N 1.364 1.228 1 C-N-CA 133.323 4.649 . . . . 0.0 116.232 176.048 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -58.1 -7.17 0.73 Allowed 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 129.063 2.945 . . . . 0.0 118.433 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.8 pt? -132.78 -43.48 0.9 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.038 2.935 . . . . 0.0 113.012 176.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.492 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.9 OUTLIER -65.2 -37.12 86.33 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.628 2.771 . . . . 0.0 115.848 174.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.492 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.3 m-20 -99.34 13.28 33.71 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.174 2.589 . . . . 0.0 113.049 175.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 93.1 m -115.94 -61.42 1.74 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 130.113 3.365 . . . . 0.0 109.924 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.63 65.84 0.01 OUTLIER Glycine 0 C--N 1.377 2.85 0 C-N-CA 125.053 1.311 . . . . 0.0 116.263 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.264 14.7 tp -139.44 -88.58 0.2 Allowed 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.74 1.616 . . . . 0.0 112.451 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.483 ' C ' ' HZ1' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.918 0 C-N-CA 126.321 1.848 . . . . 0.0 111.811 -175.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.508 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 43.3 tptt -114.87 -52.44 2.7 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 129.077 2.951 . . . . 0.0 109.47 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -50.38 36.6 Favored 'General case' 0 C--N 1.368 1.406 1 C-N-CA 133.149 4.579 . . . . 0.0 115.584 176.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -57.52 -8.17 0.78 Allowed 'General case' 0 C--N 1.377 1.801 0 C-N-CA 128.581 2.752 . . . . 0.0 118.419 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.299 2.0 pt? -131.95 -40.17 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.34 3.056 . . . . 0.0 113.123 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.511 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.9 OUTLIER -66.72 -36.28 82.1 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 128.325 2.65 . . . . 0.0 114.823 173.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.511 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.5 m-20 -100.69 17.22 22.49 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 128.097 2.559 . . . . 0.0 112.565 175.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 63.3 m -120.92 -61.46 1.55 Allowed 'General case' 0 C--N 1.372 1.553 0 C-N-CA 129.808 3.243 . . . . 0.0 109.511 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.93 57.77 0.01 OUTLIER Glycine 0 C--N 1.379 2.945 0 N-CA-C 117.904 1.922 . . . . 0.0 117.904 174.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.37 -82.83 0.54 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.059 1.744 . . . . 0.0 112.144 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.508 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.796 0 C-N-CA 125.912 1.685 . . . . 0.0 112.465 -174.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.503 2.224 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.512 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.0 tptt -113.34 -54.57 2.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.976 2.911 . . . . 0.0 109.672 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -53.61 11.98 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.343 4.657 . . . . 0.0 116.507 177.172 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -53.21 -20.41 4.02 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 118.499 2.777 . . . . 0.0 118.499 175.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.266 1.9 pt? -118.8 -34.69 3.87 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.397 2.679 . . . . 0.0 113.946 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -48.64 75.45 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 129.171 2.988 . . . . 0.0 113.694 172.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.34 1.05 38.89 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 128.019 2.528 . . . . 0.0 114.514 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.6 t -98.73 -58.22 2.0 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 129.433 3.093 . . . . 0.0 110.487 169.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.09 46.95 0.05 OUTLIER Glycine 0 C--N 1.373 2.609 0 N-CA-C 117.846 1.899 . . . . 0.0 117.846 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.55 -72.19 0.72 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.833 1.653 . . . . 0.0 113.157 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.512 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.771 0 C-N-CA 125.563 1.545 . . . . 0.0 112.578 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -113.3 -49.2 2.92 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.394 2.678 . . . . 0.0 109.66 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -52.58 54.67 Favored 'General case' 0 C--N 1.373 1.623 1 C-N-CA 133.701 4.8 . . . . 0.0 115.713 178.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -52.57 -24.46 8.27 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.922 2.889 . . . . 0.0 118.099 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.276 1.7 pt? -110.21 -33.62 6.6 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.649 2.78 . . . . 0.0 113.758 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.571 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.1 OUTLIER -62.78 -37.46 86.76 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 128.983 2.913 . . . . 0.0 114.864 169.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.571 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.4 m-20 -95.5 8.43 43.31 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 129.081 2.952 . . . . 0.0 113.847 174.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.39 -59.15 1.78 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 130.048 3.339 . . . . 0.0 109.734 168.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.98 47.79 0.04 OUTLIER Glycine 0 C--N 1.379 2.933 0 C-N-CA 126.333 1.921 . . . . 0.0 116.454 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.91 -70.17 0.83 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.941 1.696 . . . . 0.0 114.452 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.943 0 CA-C-N 120.142 1.337 . . . . 0.0 114.238 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 29.5 mm . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 119.738 -0.172 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . 0.502 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.4 tptt -113.61 -55.44 2.51 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.192 2.997 . . . . 0.0 108.789 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -52.44 13.94 Favored 'General case' 0 C--N 1.364 1.214 1 C-N-CA 133.233 4.613 . . . . 0.0 116.38 176.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -53.13 -20.51 3.87 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.7 pt? -118.5 -39.37 3.02 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 129.003 2.921 . . . . 0.0 112.819 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.51 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.5 OUTLIER -64.55 -37.07 86.27 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.662 2.785 . . . . 0.0 115.178 173.383 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.51 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.7 m-20 -96.85 9.1 42.8 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 128.558 2.743 . . . . 0.0 113.28 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.6 t -105.2 -61.04 1.53 Allowed 'General case' 0 C--N 1.37 1.48 0 C-N-CA 130.605 3.562 . . . . 0.0 109.29 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.7 55.57 0.02 OUTLIER Glycine 0 C--N 1.382 3.126 0 C-N-CA 125.891 1.71 . . . . 0.0 115.523 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.86 -82.57 0.65 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.76 2.024 . . . . 0.0 112.301 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . 0.502 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.886 0 C-N-CA 126.385 1.874 . . . . 0.0 112.044 -176.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -110.87 -59.7 1.93 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.68 2.392 . . . . 0.0 109.043 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -51.8 1.87 Allowed 'General case' 0 C--N 1.363 1.174 1 C-N-CA 133.307 4.643 . . . . 0.0 117.026 178.025 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.01 -21.38 21.08 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 128.638 2.775 . . . . 0.0 118.034 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.296 1.6 pt? -121.55 -39.96 2.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.88 2.472 . . . . 0.0 113.443 177.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.511 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.6 OUTLIER -63.73 -37.21 86.5 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 130.078 3.351 . . . . 0.0 114.764 174.383 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.511 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.3 m-20 -100.78 15.2 29.14 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 128.052 2.541 . . . . 0.0 112.61 174.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.2 t -111.06 -62.51 1.53 Allowed 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.084 3.354 . . . . 0.0 109.108 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.7 48.45 0.01 OUTLIER Glycine 0 C--N 1.377 2.826 0 N-CA-C 117.149 1.62 . . . . 0.0 117.149 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.19 -86.32 0.65 Allowed 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.725 1.61 . . . . 0.0 111.709 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.786 0 C-N-CA 126.634 1.974 . . . . 0.0 112.141 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.12 -45.57 2.84 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.42 3.088 . . . . 0.0 109.858 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -50.21 65.35 Favored 'General case' 0 C--N 1.368 1.375 1 C-N-CA 133.455 4.702 . . . . 0.0 115.446 175.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -8.46 0.79 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 128.384 2.674 . . . . 0.0 118.158 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.4 pt? -125.36 -38.46 2.28 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 129.667 3.187 . . . . 0.0 112.1 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.524 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.5 OUTLIER -64.42 -38.47 91.13 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 128.22 2.608 . . . . 0.0 115.227 172.064 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.524 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 6.7 m-20 -100.64 31.02 3.66 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 129.134 2.973 . . . . 0.0 112.276 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 54.5 m -135.91 -62.25 0.69 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 131.104 3.762 . . . . 0.0 108.827 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 152.05 67.38 0.01 OUTLIER Glycine 0 C--N 1.38 2.986 0 C-N-CA 125.333 1.444 . . . . 0.0 116.057 173.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.48 -83.8 0.4 Allowed 'General case' 0 C--N 1.372 1.563 0 C-N-CA 125.622 1.569 . . . . 0.0 112.308 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.825 0 C-N-CA 127.051 2.14 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.721 2.008 . . . . 0.0 109.312 170.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -52.37 2.15 Favored 'General case' 0 C--N 1.363 1.194 1 C-N-CA 132.836 4.454 . . . . 0.0 117.121 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -56.59 -21.55 27.57 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.828 2.851 . . . . 0.0 118.223 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 2.1 pt? -124.27 -38.41 2.44 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.485 2.714 . . . . 0.0 113.861 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -34.91 78.86 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 129.617 3.167 . . . . 0.0 114.961 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -96.52 7.07 47.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 127.184 2.194 . . . . 0.0 113.69 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 10.0 t -103.13 -61.15 1.44 Allowed 'General case' 0 C--N 1.374 1.65 0 C-N-CA 129.395 3.078 . . . . 0.0 109.783 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 148.65 51.62 0.02 OUTLIER Glycine 0 C--N 1.376 2.756 0 C-N-CA 126.031 1.777 . . . . 0.0 116.757 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 2.5 tt -118.55 -81.33 0.63 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.371 1.868 . . . . 0.0 112.61 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.809 0 C-N-CA 126.98 2.112 . . . . 0.0 111.354 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 119.821 -0.133 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.08 -48.09 2.55 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.826 2.85 . . . . 0.0 109.672 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -49.5 62.44 Favored 'General case' 0 C--N 1.365 1.25 1 C-N-CA 133.19 4.596 . . . . 0.0 116.221 174.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -9.42 0.83 Allowed 'General case' 0 C--N 1.378 1.837 0 C-N-CA 128.969 2.907 . . . . 0.0 118.689 174.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.3 1.6 pt? -127.19 -37.92 2.02 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 129.637 3.175 . . . . 0.0 112.236 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.523 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.5 OUTLIER -62.72 -37.81 87.99 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.279 2.632 . . . . 0.0 114.884 171.055 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.523 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 6.2 m-20 -103.27 34.93 2.72 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.685 2.394 . . . . 0.0 111.717 175.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 49.8 m -138.68 -63.86 0.53 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 131.402 3.881 . . . . 0.0 108.672 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 151.58 68.68 0.01 OUTLIER Glycine 0 C--N 1.379 2.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.744 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.94 -82.67 0.29 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.683 1.593 . . . . 0.0 111.646 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.902 0 C-N-CA 126.661 1.984 . . . . 0.0 113.0 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -116.83 -46.27 2.75 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.456 3.103 . . . . 0.0 110.366 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -50.57 66.65 Favored 'General case' 0 C--N 1.369 1.423 1 C-N-CA 133.21 4.604 . . . . 0.0 115.091 176.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -11.28 0.55 Allowed 'General case' 0 C--N 1.378 1.841 0 C-N-CA 129.361 3.065 . . . . 0.0 118.25 174.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.6 pt? -124.3 -40.56 2.24 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 130.098 3.359 . . . . 0.0 112.319 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.489 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 1.1 ttpm? -61.83 -38.35 87.86 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 128.41 2.684 . . . . 0.0 115.91 173.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.489 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.2 m-20 -94.16 -0.12 55.43 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.132 2.973 . . . . 0.0 113.715 177.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 97.6 m -102.7 -56.65 2.2 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 130.321 3.449 . . . . 0.0 110.897 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.62 65.96 0.01 OUTLIER Glycine 0 C--N 1.38 2.998 0 C-N-CA 126.189 1.852 . . . . 0.0 116.765 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -134.96 -82.62 0.43 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.714 1.606 . . . . 0.0 112.806 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 2.008 0 C-N-CA 126.823 2.049 . . . . 0.0 112.479 -175.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.501 2.107 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.523 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.7 tptt -114.12 -60.04 1.94 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.645 2.778 . . . . 0.0 108.357 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -54.1 6.79 Favored 'General case' 0 C--N 1.364 1.221 1 C-N-CA 133.964 4.906 . . . . 0.0 116.887 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -53.81 -20.43 5.75 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.9 pt? -121.4 -34.01 3.54 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.924 2.89 . . . . 0.0 113.609 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.551 ' HZ3' ' CG ' ' A' ' 346' ' ' ASP . 1.5 tmmt? -61.27 -52.12 66.08 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 129.218 3.007 . . . . 0.0 113.001 170.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.551 ' CG ' ' HZ3' ' A' ' 345' ' ' LYS . 42.4 m-20 -79.76 2.14 24.03 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.749 2.419 . . . . 0.0 115.061 175.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 14.9 t -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 130.37 3.468 . . . . 0.0 109.867 167.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 135.6 38.68 0.17 Allowed Glycine 0 C--N 1.376 2.776 0 C-N-CA 126.852 2.168 . . . . 0.0 117.392 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.2 -63.61 1.12 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.63 1.972 . . . . 0.0 114.024 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.523 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 -177.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.497 ' HZ1' ' C ' ' A' ' 350' ' ' PHE . 41.7 tptt -112.92 -53.8 2.68 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 128.627 2.771 . . . . 0.0 109.154 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -50.32 30.26 Favored 'General case' 0 C--N 1.365 1.272 1 C-N-CA 133.401 4.68 . . . . 0.0 116.306 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -57.87 -8.92 1.09 Allowed 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 129.289 3.036 . . . . 0.0 118.102 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.8 pt? -131.42 -44.49 1.01 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.462 3.105 . . . . 0.0 112.415 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.491 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 1.0 OUTLIER -63.77 -37.08 86.03 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 128.307 2.643 . . . . 0.0 115.615 175.139 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.491 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.6 m-20 -99.41 11.26 39.62 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 128.069 2.547 . . . . 0.0 113.071 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 90.2 m -113.18 -61.0 1.8 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 130.477 3.511 . . . . 0.0 109.928 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.53 67.1 0.01 OUTLIER Glycine 0 C--N 1.375 2.738 0 C-N-CA 125.565 1.555 . . . . 0.0 116.779 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.26 12.4 tp -140.14 -88.36 0.19 Allowed 'General case' 0 C--N 1.37 1.498 0 C-N-CA 125.581 1.552 . . . . 0.0 112.779 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.497 ' C ' ' HZ1' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.875 0 C-N-CA 126.224 1.81 . . . . 0.0 112.208 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 21.8 mm . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 119.453 -0.308 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -115.26 -56.04 2.4 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.871 2.468 . . . . 0.0 109.524 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -47.57 5.03 Favored 'General case' 0 C--N 1.366 1.321 1 C-N-CA 132.763 4.425 . . . . 0.0 116.738 176.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.15 -11.36 5.95 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 128.668 2.787 . . . . 0.0 118.4 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.314 1.9 pt? -132.25 -44.36 0.93 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.685 2.394 . . . . 0.0 113.401 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.522 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.6 OUTLIER -64.13 -38.57 91.53 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 130.112 3.365 . . . . 0.0 114.825 176.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.522 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.0 m-20 -100.77 9.61 42.18 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 128.116 2.566 . . . . 0.0 113.099 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 91.4 m -111.56 -58.64 2.09 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 129.882 3.273 . . . . 0.0 110.556 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 156.57 58.25 0.01 OUTLIER Glycine 0 C--N 1.384 3.218 0 N-CA-C 117.173 1.629 . . . . 0.0 117.173 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.266 19.8 tp -137.88 -93.42 0.21 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 126.086 1.755 . . . . 0.0 112.06 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.377 1.785 0 C-N-CA 126.655 1.982 . . . . 0.0 111.903 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.521 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 46.1 tptt -113.38 -55.95 2.46 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 129.029 2.931 . . . . 0.0 109.392 177.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -53.54 7.46 Favored 'General case' 0 CA--C 1.558 1.256 1 C-N-CA 133.21 4.604 . . . . 0.0 117.089 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -54.7 -21.19 10.04 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.818 2.847 . . . . 0.0 117.97 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.8 pt? -118.39 -35.67 3.72 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.888 2.875 . . . . 0.0 113.799 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -48.73 73.26 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 129.375 3.07 . . . . 0.0 113.31 172.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.87 10.41 9.73 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 127.703 2.401 . . . . 0.0 114.282 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.9 t -107.46 -61.64 1.53 Allowed 'General case' 0 C--N 1.374 1.671 0 C-N-CA 130.554 3.542 . . . . 0.0 109.407 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.34 56.13 0.03 OUTLIER Glycine 0 C--N 1.376 2.789 0 C-N-CA 126.269 1.89 . . . . 0.0 115.924 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -118.94 -74.24 0.61 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.286 1.835 . . . . 0.0 112.812 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.521 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.267 1.986 0 C-N-CA 125.984 1.714 . . . . 0.0 113.096 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -113.07 -57.73 2.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 127.519 2.327 . . . . 0.0 109.137 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -49.7 2.71 Favored 'General case' 0 CA--C 1.563 1.448 1 C-N-CA 132.625 4.37 . . . . 0.0 117.105 176.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.22 -11.27 3.7 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 129.097 2.959 . . . . 0.0 117.993 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.321 2.0 pt? -132.56 -43.46 0.92 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.373 2.669 . . . . 0.0 113.211 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.49 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.7 OUTLIER -63.16 -36.72 84.55 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 130.33 3.452 . . . . 0.0 115.497 175.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.49 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.9 m-20 -102.75 13.31 34.74 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 128.03 2.532 . . . . 0.0 112.908 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 94.3 m -116.95 -58.16 2.1 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 130.315 3.446 . . . . 0.0 110.328 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.03 62.34 0.01 OUTLIER Glycine 0 C--N 1.376 2.754 0 C-N-CA 125.59 1.567 . . . . 0.0 116.645 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.26 -88.56 0.24 Allowed 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.721 1.608 . . . . 0.0 111.433 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.896 0 C-N-CA 126.582 1.953 . . . . 0.0 111.769 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.171 0.034 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.514 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.3 tptt -115.47 -52.77 2.64 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.021 2.928 . . . . 0.0 109.038 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -50.46 29.48 Favored 'General case' 0 CA--C 1.561 1.379 1 C-N-CA 132.797 4.439 . . . . 0.0 115.983 177.213 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.92 -9.11 1.18 Allowed 'General case' 0 C--N 1.375 1.7 0 C-N-CA 129.009 2.924 . . . . 0.0 118.381 174.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.292 1.9 pt? -131.06 -42.74 1.08 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.489 3.116 . . . . 0.0 112.14 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.502 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.9 OUTLIER -65.15 -35.55 81.44 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.762 2.825 . . . . 0.0 115.324 174.167 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.6 m-20 -100.62 18.0 20.38 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 127.972 2.509 . . . . 0.0 113.021 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.91 -61.77 1.41 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 130.367 3.467 . . . . 0.0 109.834 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.67 68.47 0.01 OUTLIER Glycine 0 C--N 1.378 2.881 0 C-N-CA 125.304 1.431 . . . . 0.0 115.98 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.7 tt -138.67 -85.31 0.26 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.756 1.622 . . . . 0.0 112.037 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.514 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.799 0 C-N-CA 126.527 1.931 . . . . 0.0 111.885 -176.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -115.15 -55.85 2.43 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.998 2.519 . . . . 0.0 109.031 176.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -48.85 3.71 Favored 'General case' 0 CA--C 1.56 1.357 1 C-N-CA 132.524 4.33 . . . . 0.0 116.74 176.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.47 -9.23 3.41 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.965 2.906 . . . . 0.0 118.163 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.312 1.9 pt? -134.35 -43.35 0.78 Allowed 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.986 2.514 . . . . 0.0 113.536 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.494 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.8 OUTLIER -64.1 -37.66 88.24 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.05 3.34 . . . . 0.0 115.372 175.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.494 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.2 m-20 -99.82 4.23 45.15 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 128.378 2.671 . . . . 0.0 113.688 176.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 84.3 m -107.2 -57.48 2.07 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.798 3.239 . . . . 0.0 110.651 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.59 60.67 0.01 OUTLIER Glycine 0 C--N 1.379 2.942 0 N-CA-C 117.806 1.882 . . . . 0.0 117.806 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 17.9 tp -139.18 -90.63 0.19 Allowed 'General case' 0 C--N 1.37 1.493 0 C-N-CA 125.952 1.701 . . . . 0.0 111.565 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.815 0 C-N-CA 126.442 1.897 . . . . 0.0 111.706 -177.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.533 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 44.1 tptt -114.97 -56.53 2.37 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.504 2.722 . . . . 0.0 108.503 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -51.96 7.16 Favored 'General case' 0 C--N 1.369 1.452 1 C-N-CA 133.174 4.59 . . . . 0.0 116.586 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.09 -20.1 9.01 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 129.134 2.974 . . . . 0.0 118.247 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.311 2.0 pt? -121.04 -36.66 3.09 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.249 2.62 . . . . 0.0 113.825 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.404 ' HZ3' ' CG ' ' A' ' 346' ' ' ASP . 0.0 OUTLIER -63.29 -42.73 99.1 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 128.773 2.829 . . . . 0.0 113.555 172.614 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.404 ' CG ' ' HZ3' ' A' ' 345' ' ' LYS . 4.6 m-20 -90.07 2.21 55.48 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 128.613 2.765 . . . . 0.0 114.036 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.64 -58.28 1.91 Allowed 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.252 3.021 . . . . 0.0 110.699 171.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.02 55.06 0.03 OUTLIER Glycine 0 C--N 1.375 2.7 0 C-N-CA 126.432 1.968 . . . . 0.0 116.111 175.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.14 -77.52 0.59 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.272 1.829 . . . . 0.0 112.47 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.533 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.884 0 C-N-CA 126.239 1.816 . . . . 0.0 112.177 -177.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.06 -44.62 2.9 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 129.611 3.164 . . . . 0.0 110.517 -177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -50.1 69.63 Favored 'General case' 0 C--N 1.369 1.446 1 C-N-CA 133.199 4.6 . . . . 0.0 115.423 175.465 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -5.5 0.32 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 128.751 2.82 . . . . 0.0 118.502 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.279 1.5 pt? -129.39 -39.52 1.49 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.988 3.315 . . . . 0.0 111.838 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.513 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.6 OUTLIER -63.91 -38.5 91.32 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.633 2.773 . . . . 0.0 115.159 171.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.513 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 6.0 m-20 -101.21 31.71 3.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 128.416 2.686 . . . . 0.0 111.903 175.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 57.7 m -137.32 -64.54 0.56 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 130.902 3.681 . . . . 0.0 108.209 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.69 65.99 0.01 OUTLIER Glycine 0 C--N 1.374 2.662 0 C-N-CA 125.277 1.418 . . . . 0.0 116.446 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 15.3 tp -138.13 -84.05 0.3 Allowed 'General case' 0 C--N 1.367 1.36 0 CA-C-N 118.804 1.302 . . . . 0.0 112.167 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.266 1.944 0 C-N-CA 126.049 1.74 . . . . 0.0 112.932 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.504 2.254 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.54 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.5 tptt -115.36 -58.67 2.1 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 129.061 2.944 . . . . 0.0 108.651 176.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.73 -53.34 9.6 Favored 'General case' 0 C--N 1.362 1.123 1 C-N-CA 133.524 4.729 . . . . 0.0 116.482 178.113 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -53.9 -18.47 3.42 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.789 2.835 . . . . 0.0 118.624 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.295 1.9 pt? -122.62 -35.98 2.99 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.876 2.87 . . . . 0.0 113.013 177.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.451 ' HZ3' ' CG ' ' A' ' 346' ' ' ASP . 0.0 OUTLIER -64.62 -40.38 95.39 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 129.13 2.972 . . . . 0.0 113.769 171.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.451 ' CG ' ' HZ3' ' A' ' 345' ' ' LYS . 18.3 m-20 -92.26 10.09 31.12 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 128.036 2.534 . . . . 0.0 113.881 174.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.08 -61.4 1.55 Allowed 'General case' 0 C--N 1.374 1.673 0 C-N-CA 130.177 3.391 . . . . 0.0 109.35 171.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 145.8 52.08 0.03 OUTLIER Glycine 0 C--N 1.379 2.929 0 C-N-CA 126.54 2.019 . . . . 0.0 115.934 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -118.08 -77.35 0.57 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 126.243 1.817 . . . . 0.0 113.557 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.54 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.777 0 C-N-CA 126.036 1.735 . . . . 0.0 112.521 -175.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.483 ' HZ1' ' C ' ' A' ' 350' ' ' PHE . 44.3 tptt -115.49 -51.74 2.68 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.071 2.948 . . . . 0.0 109.604 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -49.76 35.13 Favored 'General case' 0 C--N 1.364 1.228 1 C-N-CA 133.323 4.649 . . . . 0.0 116.232 176.048 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -58.1 -7.17 0.73 Allowed 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 129.063 2.945 . . . . 0.0 118.433 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.8 pt? -132.78 -43.48 0.9 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.038 2.935 . . . . 0.0 113.012 176.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.492 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.9 OUTLIER -65.2 -37.12 86.33 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.628 2.771 . . . . 0.0 115.848 174.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.492 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.3 m-20 -99.34 13.28 33.71 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.174 2.589 . . . . 0.0 113.049 175.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 93.1 m -115.94 -61.42 1.74 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 130.113 3.365 . . . . 0.0 109.924 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.63 65.84 0.01 OUTLIER Glycine 0 C--N 1.377 2.85 0 C-N-CA 125.053 1.311 . . . . 0.0 116.263 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.264 14.7 tp -139.44 -88.58 0.2 Allowed 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.74 1.616 . . . . 0.0 112.451 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.483 ' C ' ' HZ1' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.918 0 C-N-CA 126.321 1.848 . . . . 0.0 111.811 -175.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.508 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 43.3 tptt -114.87 -52.44 2.7 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 129.077 2.951 . . . . 0.0 109.47 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -50.38 36.6 Favored 'General case' 0 C--N 1.368 1.406 1 C-N-CA 133.149 4.579 . . . . 0.0 115.584 176.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -57.52 -8.17 0.78 Allowed 'General case' 0 C--N 1.377 1.801 0 C-N-CA 128.581 2.752 . . . . 0.0 118.419 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.299 2.0 pt? -131.95 -40.17 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.34 3.056 . . . . 0.0 113.123 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.511 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.9 OUTLIER -66.72 -36.28 82.1 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 128.325 2.65 . . . . 0.0 114.823 173.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.511 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.5 m-20 -100.69 17.22 22.49 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 128.097 2.559 . . . . 0.0 112.565 175.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 63.3 m -120.92 -61.46 1.55 Allowed 'General case' 0 C--N 1.372 1.553 0 C-N-CA 129.808 3.243 . . . . 0.0 109.511 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.93 57.77 0.01 OUTLIER Glycine 0 C--N 1.379 2.945 0 N-CA-C 117.904 1.922 . . . . 0.0 117.904 174.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.37 -82.83 0.54 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.059 1.744 . . . . 0.0 112.144 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.508 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.796 0 C-N-CA 125.912 1.685 . . . . 0.0 112.465 -174.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.503 2.224 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.512 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.0 tptt -113.34 -54.57 2.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.976 2.911 . . . . 0.0 109.672 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -53.61 11.98 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.343 4.657 . . . . 0.0 116.507 177.172 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -53.21 -20.41 4.02 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 118.499 2.777 . . . . 0.0 118.499 175.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.266 1.9 pt? -118.8 -34.69 3.87 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.397 2.679 . . . . 0.0 113.946 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -48.64 75.45 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 129.171 2.988 . . . . 0.0 113.694 172.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.34 1.05 38.89 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 128.019 2.528 . . . . 0.0 114.514 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.6 t -98.73 -58.22 2.0 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 129.433 3.093 . . . . 0.0 110.487 169.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.09 46.95 0.05 OUTLIER Glycine 0 C--N 1.373 2.609 0 N-CA-C 117.846 1.899 . . . . 0.0 117.846 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.55 -72.19 0.72 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.833 1.653 . . . . 0.0 113.157 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.512 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.771 0 C-N-CA 125.563 1.545 . . . . 0.0 112.578 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -113.3 -49.2 2.92 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.394 2.678 . . . . 0.0 109.66 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -52.58 54.67 Favored 'General case' 0 C--N 1.373 1.623 1 C-N-CA 133.701 4.8 . . . . 0.0 115.713 178.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -52.57 -24.46 8.27 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.922 2.889 . . . . 0.0 118.099 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.276 1.7 pt? -110.21 -33.62 6.6 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.649 2.78 . . . . 0.0 113.758 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.571 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.1 OUTLIER -62.78 -37.46 86.76 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 128.983 2.913 . . . . 0.0 114.864 169.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.571 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.4 m-20 -95.5 8.43 43.31 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 129.081 2.952 . . . . 0.0 113.847 174.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.39 -59.15 1.78 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 130.048 3.339 . . . . 0.0 109.734 168.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.98 47.79 0.04 OUTLIER Glycine 0 C--N 1.379 2.933 0 C-N-CA 126.333 1.921 . . . . 0.0 116.454 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.91 -70.17 0.83 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.941 1.696 . . . . 0.0 114.452 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.943 0 CA-C-N 120.142 1.337 . . . . 0.0 114.238 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 29.5 mm . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 119.738 -0.172 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . 0.502 ' HZ3' ' C ' ' A' ' 350' ' ' PHE . 45.4 tptt -113.61 -55.44 2.51 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.192 2.997 . . . . 0.0 108.789 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -52.44 13.94 Favored 'General case' 0 C--N 1.364 1.214 1 C-N-CA 133.233 4.613 . . . . 0.0 116.38 176.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -53.13 -20.51 3.87 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.7 pt? -118.5 -39.37 3.02 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 129.003 2.921 . . . . 0.0 112.819 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.51 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.5 OUTLIER -64.55 -37.07 86.27 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.662 2.785 . . . . 0.0 115.178 173.383 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.51 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.7 m-20 -96.85 9.1 42.8 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 128.558 2.743 . . . . 0.0 113.28 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.6 t -105.2 -61.04 1.53 Allowed 'General case' 0 C--N 1.37 1.48 0 C-N-CA 130.605 3.562 . . . . 0.0 109.29 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.7 55.57 0.02 OUTLIER Glycine 0 C--N 1.382 3.126 0 C-N-CA 125.891 1.71 . . . . 0.0 115.523 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.86 -82.57 0.65 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.76 2.024 . . . . 0.0 112.301 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . 0.502 ' C ' ' HZ3' ' A' ' 341' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.886 0 C-N-CA 126.385 1.874 . . . . 0.0 112.044 -176.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -110.87 -59.7 1.93 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.68 2.392 . . . . 0.0 109.043 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -51.8 1.87 Allowed 'General case' 0 C--N 1.363 1.174 1 C-N-CA 133.307 4.643 . . . . 0.0 117.026 178.025 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.01 -21.38 21.08 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 128.638 2.775 . . . . 0.0 118.034 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.296 1.6 pt? -121.55 -39.96 2.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.88 2.472 . . . . 0.0 113.443 177.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.511 ' HZ1' ' CG ' ' A' ' 346' ' ' ASP . 0.6 OUTLIER -63.73 -37.21 86.5 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 130.078 3.351 . . . . 0.0 114.764 174.383 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.511 ' CG ' ' HZ1' ' A' ' 345' ' ' LYS . 5.3 m-20 -100.78 15.2 29.14 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 128.052 2.541 . . . . 0.0 112.61 174.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.2 t -111.06 -62.51 1.53 Allowed 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.084 3.354 . . . . 0.0 109.108 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.7 48.45 0.01 OUTLIER Glycine 0 C--N 1.377 2.826 0 N-CA-C 117.149 1.62 . . . . 0.0 117.149 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.19 -86.32 0.65 Allowed 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.725 1.61 . . . . 0.0 111.709 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.786 0 C-N-CA 126.634 1.974 . . . . 0.0 112.141 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.598 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.1 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.12 -45.57 2.84 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.42 3.088 . . . . 0.0 109.858 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -50.21 65.35 Favored 'General case' 0 C--N 1.368 1.375 1 C-N-CA 133.455 4.702 . . . . 0.0 115.446 175.294 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.4 p30 -57.4 -8.46 0.79 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 128.384 2.674 . . . . 0.0 118.158 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.4 pt? -125.36 -38.46 2.28 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 129.667 3.187 . . . . 0.0 112.1 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -38.47 91.13 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 128.22 2.608 . . . . 0.0 115.227 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.64 31.02 3.66 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 129.134 2.973 . . . . 0.0 112.276 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 54.5 m -135.91 -62.25 0.69 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 131.104 3.762 . . . . 0.0 108.827 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 152.05 67.38 0.01 OUTLIER Glycine 0 C--N 1.38 2.986 0 C-N-CA 125.333 1.444 . . . . 0.0 116.057 173.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.48 -83.8 0.4 Allowed 'General case' 0 C--N 1.372 1.563 0 C-N-CA 125.622 1.569 . . . . 0.0 112.308 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.825 0 C-N-CA 127.051 2.14 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.498 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.1 mp . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.721 2.008 . . . . 0.0 109.312 170.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -52.37 2.15 Favored 'General case' 0 C--N 1.363 1.194 1 C-N-CA 132.836 4.454 . . . . 0.0 117.121 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.498 HD21 ' N ' ' A' ' 340' ' ' ILE . 5.3 p30 -56.59 -21.55 27.57 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.828 2.851 . . . . 0.0 118.223 175.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 2.1 pt? -124.27 -38.41 2.44 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.485 2.714 . . . . 0.0 113.861 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -34.91 78.86 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 129.617 3.167 . . . . 0.0 114.961 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -96.52 7.07 47.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 127.184 2.194 . . . . 0.0 113.69 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 10.0 t -103.13 -61.15 1.44 Allowed 'General case' 0 C--N 1.374 1.65 0 C-N-CA 129.395 3.078 . . . . 0.0 109.783 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 148.65 51.62 0.02 OUTLIER Glycine 0 C--N 1.376 2.756 0 C-N-CA 126.031 1.777 . . . . 0.0 116.757 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 2.5 tt -118.55 -81.33 0.63 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.371 1.868 . . . . 0.0 112.61 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.809 0 C-N-CA 126.98 2.112 . . . . 0.0 111.354 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.598 ' N ' HD21 ' A' ' 343' ' ' ASN . 1.9 mp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 119.821 -0.133 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.08 -48.09 2.55 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.826 2.85 . . . . 0.0 109.672 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -49.5 62.44 Favored 'General case' 0 C--N 1.365 1.25 1 C-N-CA 133.19 4.596 . . . . 0.0 116.221 174.235 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.2 p30 -56.99 -9.42 0.83 Allowed 'General case' 0 C--N 1.378 1.837 0 C-N-CA 128.969 2.907 . . . . 0.0 118.689 174.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.3 1.6 pt? -127.19 -37.92 2.02 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 129.637 3.175 . . . . 0.0 112.236 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -37.81 87.99 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.279 2.632 . . . . 0.0 114.884 171.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.27 34.93 2.72 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.685 2.394 . . . . 0.0 111.717 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 49.8 m -138.68 -63.86 0.53 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 131.402 3.881 . . . . 0.0 108.672 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 151.58 68.68 0.01 OUTLIER Glycine 0 C--N 1.379 2.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.744 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.94 -82.67 0.29 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.683 1.593 . . . . 0.0 111.646 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.902 0 C-N-CA 126.661 1.984 . . . . 0.0 113.0 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.605 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.1 mp . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -116.83 -46.27 2.75 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.456 3.103 . . . . 0.0 110.366 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -50.57 66.65 Favored 'General case' 0 C--N 1.369 1.423 1 C-N-CA 133.21 4.604 . . . . 0.0 115.091 176.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.605 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.0 p30 -54.63 -11.28 0.55 Allowed 'General case' 0 C--N 1.378 1.841 0 C-N-CA 129.361 3.065 . . . . 0.0 118.25 174.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.6 pt? -124.3 -40.56 2.24 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 130.098 3.359 . . . . 0.0 112.319 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -61.83 -38.35 87.86 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 128.41 2.684 . . . . 0.0 115.91 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.16 -0.12 55.43 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.132 2.973 . . . . 0.0 113.715 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 97.6 m -102.7 -56.65 2.2 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 130.321 3.449 . . . . 0.0 110.897 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.62 65.96 0.01 OUTLIER Glycine 0 C--N 1.38 2.998 0 C-N-CA 126.189 1.852 . . . . 0.0 116.765 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -134.96 -82.62 0.43 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.714 1.606 . . . . 0.0 112.806 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 2.008 0 C-N-CA 126.823 2.049 . . . . 0.0 112.479 -175.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.482 ' N ' HD21 ' A' ' 343' ' ' ASN . 8.5 tp . . . . . 0 N--CA 1.501 2.107 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -114.12 -60.04 1.94 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.645 2.778 . . . . 0.0 108.357 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -54.1 6.79 Favored 'General case' 0 C--N 1.364 1.221 1 C-N-CA 133.964 4.906 . . . . 0.0 116.887 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 340' ' ' ILE . 5.3 p30 -53.81 -20.43 5.75 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.9 pt? -121.4 -34.01 3.54 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.924 2.89 . . . . 0.0 113.609 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.27 -52.12 66.08 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 129.218 3.007 . . . . 0.0 113.001 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -79.76 2.14 24.03 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.749 2.419 . . . . 0.0 115.061 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 14.9 t -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 130.37 3.468 . . . . 0.0 109.867 167.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 135.6 38.68 0.17 Allowed Glycine 0 C--N 1.376 2.776 0 C-N-CA 126.852 2.168 . . . . 0.0 117.392 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.2 -63.61 1.12 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.63 1.972 . . . . 0.0 114.024 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 -177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.529 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.3 mp . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -112.92 -53.8 2.68 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 128.627 2.771 . . . . 0.0 109.154 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -50.32 30.26 Favored 'General case' 0 C--N 1.365 1.272 1 C-N-CA 133.401 4.68 . . . . 0.0 116.306 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.529 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.0 p30 -57.87 -8.92 1.09 Allowed 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 129.289 3.036 . . . . 0.0 118.102 175.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.8 pt? -131.42 -44.49 1.01 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.462 3.105 . . . . 0.0 112.415 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -37.08 86.03 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 128.307 2.643 . . . . 0.0 115.615 175.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.41 11.26 39.62 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 128.069 2.547 . . . . 0.0 113.071 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 90.2 m -113.18 -61.0 1.8 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 130.477 3.511 . . . . 0.0 109.928 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.53 67.1 0.01 OUTLIER Glycine 0 C--N 1.375 2.738 0 C-N-CA 125.565 1.555 . . . . 0.0 116.779 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.26 12.4 tp -140.14 -88.36 0.19 Allowed 'General case' 0 C--N 1.37 1.498 0 C-N-CA 125.581 1.552 . . . . 0.0 112.779 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.875 0 C-N-CA 126.224 1.81 . . . . 0.0 112.208 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.516 ' N ' HD21 ' A' ' 343' ' ' ASN . 21.8 mm . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 119.453 -0.308 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -115.26 -56.04 2.4 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.871 2.468 . . . . 0.0 109.524 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -47.57 5.03 Favored 'General case' 0 C--N 1.366 1.321 1 C-N-CA 132.763 4.425 . . . . 0.0 116.738 176.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.516 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.3 p30 -60.15 -11.36 5.95 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 128.668 2.787 . . . . 0.0 118.4 171.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.314 1.9 pt? -132.25 -44.36 0.93 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.685 2.394 . . . . 0.0 113.401 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -38.57 91.53 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 130.112 3.365 . . . . 0.0 114.825 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.77 9.61 42.18 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 128.116 2.566 . . . . 0.0 113.099 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 91.4 m -111.56 -58.64 2.09 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 129.882 3.273 . . . . 0.0 110.556 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 156.57 58.25 0.01 OUTLIER Glycine 0 C--N 1.384 3.218 0 N-CA-C 117.173 1.629 . . . . 0.0 117.173 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.266 19.8 tp -137.88 -93.42 0.21 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 126.086 1.755 . . . . 0.0 112.06 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.377 1.785 0 C-N-CA 126.655 1.982 . . . . 0.0 111.903 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.56 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.4 mp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -113.38 -55.95 2.46 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 129.029 2.931 . . . . 0.0 109.392 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -53.54 7.46 Favored 'General case' 0 CA--C 1.558 1.256 1 C-N-CA 133.21 4.604 . . . . 0.0 117.089 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.56 HD21 ' N ' ' A' ' 340' ' ' ILE . 5.8 p30 -54.7 -21.19 10.04 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.818 2.847 . . . . 0.0 117.97 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.8 pt? -118.39 -35.67 3.72 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.888 2.875 . . . . 0.0 113.799 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -48.73 73.26 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 129.375 3.07 . . . . 0.0 113.31 172.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.87 10.41 9.73 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 127.703 2.401 . . . . 0.0 114.282 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.9 t -107.46 -61.64 1.53 Allowed 'General case' 0 C--N 1.374 1.671 0 C-N-CA 130.554 3.542 . . . . 0.0 109.407 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.34 56.13 0.03 OUTLIER Glycine 0 C--N 1.376 2.789 0 C-N-CA 126.269 1.89 . . . . 0.0 115.924 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -118.94 -74.24 0.61 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.286 1.835 . . . . 0.0 112.812 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 1.986 0 C-N-CA 125.984 1.714 . . . . 0.0 113.096 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.528 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.7 mp . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -113.07 -57.73 2.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 127.519 2.327 . . . . 0.0 109.137 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -49.7 2.71 Favored 'General case' 0 CA--C 1.563 1.448 1 C-N-CA 132.625 4.37 . . . . 0.0 117.105 176.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.528 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.2 p30 -59.22 -11.27 3.7 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 129.097 2.959 . . . . 0.0 117.993 173.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.321 2.0 pt? -132.56 -43.46 0.92 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.373 2.669 . . . . 0.0 113.211 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.16 -36.72 84.55 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 130.33 3.452 . . . . 0.0 115.497 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.75 13.31 34.74 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 128.03 2.532 . . . . 0.0 112.908 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 94.3 m -116.95 -58.16 2.1 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 130.315 3.446 . . . . 0.0 110.328 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.03 62.34 0.01 OUTLIER Glycine 0 C--N 1.376 2.754 0 C-N-CA 125.59 1.567 . . . . 0.0 116.645 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.26 -88.56 0.24 Allowed 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.721 1.608 . . . . 0.0 111.433 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.896 0 C-N-CA 126.582 1.953 . . . . 0.0 111.769 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.563 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.9 mp . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.171 0.034 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -115.47 -52.77 2.64 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.021 2.928 . . . . 0.0 109.038 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -50.46 29.48 Favored 'General case' 0 CA--C 1.561 1.379 1 C-N-CA 132.797 4.439 . . . . 0.0 115.983 177.213 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.563 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.5 p30 -57.92 -9.11 1.18 Allowed 'General case' 0 C--N 1.375 1.7 0 C-N-CA 129.009 2.924 . . . . 0.0 118.381 174.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.292 1.9 pt? -131.06 -42.74 1.08 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.489 3.116 . . . . 0.0 112.14 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.15 -35.55 81.44 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.762 2.825 . . . . 0.0 115.324 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.62 18.0 20.38 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 127.972 2.509 . . . . 0.0 113.021 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.91 -61.77 1.41 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 130.367 3.467 . . . . 0.0 109.834 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.67 68.47 0.01 OUTLIER Glycine 0 C--N 1.378 2.881 0 C-N-CA 125.304 1.431 . . . . 0.0 115.98 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.7 tt -138.67 -85.31 0.26 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.756 1.622 . . . . 0.0 112.037 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.799 0 C-N-CA 126.527 1.931 . . . . 0.0 111.885 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.506 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.8 mp . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -115.15 -55.85 2.43 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.998 2.519 . . . . 0.0 109.031 176.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -48.85 3.71 Favored 'General case' 0 CA--C 1.56 1.357 1 C-N-CA 132.524 4.33 . . . . 0.0 116.74 176.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.506 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.4 p30 -60.47 -9.23 3.41 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.965 2.906 . . . . 0.0 118.163 172.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.312 1.9 pt? -134.35 -43.35 0.78 Allowed 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.986 2.514 . . . . 0.0 113.536 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.66 88.24 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.05 3.34 . . . . 0.0 115.372 175.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.82 4.23 45.15 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 128.378 2.671 . . . . 0.0 113.688 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 84.3 m -107.2 -57.48 2.07 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.798 3.239 . . . . 0.0 110.651 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.59 60.67 0.01 OUTLIER Glycine 0 C--N 1.379 2.942 0 N-CA-C 117.806 1.882 . . . . 0.0 117.806 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 17.9 tp -139.18 -90.63 0.19 Allowed 'General case' 0 C--N 1.37 1.493 0 C-N-CA 125.952 1.701 . . . . 0.0 111.565 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.815 0 C-N-CA 126.442 1.897 . . . . 0.0 111.706 -177.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.583 ' N ' HD21 ' A' ' 343' ' ' ASN . 1.8 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -114.97 -56.53 2.37 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.504 2.722 . . . . 0.0 108.503 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -51.96 7.16 Favored 'General case' 0 C--N 1.369 1.452 1 C-N-CA 133.174 4.59 . . . . 0.0 116.586 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.583 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.6 p30 -55.09 -20.1 9.01 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 129.134 2.974 . . . . 0.0 118.247 175.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.311 2.0 pt? -121.04 -36.66 3.09 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.249 2.62 . . . . 0.0 113.825 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -42.73 99.1 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 128.773 2.829 . . . . 0.0 113.555 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.07 2.21 55.48 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 128.613 2.765 . . . . 0.0 114.036 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.64 -58.28 1.91 Allowed 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.252 3.021 . . . . 0.0 110.699 171.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.02 55.06 0.03 OUTLIER Glycine 0 C--N 1.375 2.7 0 C-N-CA 126.432 1.968 . . . . 0.0 116.111 175.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.14 -77.52 0.59 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.272 1.829 . . . . 0.0 112.47 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.884 0 C-N-CA 126.239 1.816 . . . . 0.0 112.177 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.604 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.5 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.06 -44.62 2.9 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 129.611 3.164 . . . . 0.0 110.517 -177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -50.1 69.63 Favored 'General case' 0 C--N 1.369 1.446 1 C-N-CA 133.199 4.6 . . . . 0.0 115.423 175.465 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.604 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.6 p30 -57.32 -5.5 0.32 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 128.751 2.82 . . . . 0.0 118.502 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.279 1.5 pt? -129.39 -39.52 1.49 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.988 3.315 . . . . 0.0 111.838 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.5 91.32 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.633 2.773 . . . . 0.0 115.159 171.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.21 31.71 3.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 128.416 2.686 . . . . 0.0 111.903 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 57.7 m -137.32 -64.54 0.56 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 130.902 3.681 . . . . 0.0 108.209 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.69 65.99 0.01 OUTLIER Glycine 0 C--N 1.374 2.662 0 C-N-CA 125.277 1.418 . . . . 0.0 116.446 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 15.3 tp -138.13 -84.05 0.3 Allowed 'General case' 0 C--N 1.367 1.36 0 CA-C-N 118.804 1.302 . . . . 0.0 112.167 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.266 1.944 0 C-N-CA 126.049 1.74 . . . . 0.0 112.932 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.518 ' N ' HD21 ' A' ' 343' ' ' ASN . 8.7 tp . . . . . 0 N--CA 1.504 2.254 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -115.36 -58.67 2.1 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 129.061 2.944 . . . . 0.0 108.651 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.73 -53.34 9.6 Favored 'General case' 0 C--N 1.362 1.123 1 C-N-CA 133.524 4.729 . . . . 0.0 116.482 178.113 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.518 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.1 p30 -53.9 -18.47 3.42 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.789 2.835 . . . . 0.0 118.624 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.295 1.9 pt? -122.62 -35.98 2.99 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.876 2.87 . . . . 0.0 113.013 177.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.38 95.39 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 129.13 2.972 . . . . 0.0 113.769 171.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -92.26 10.09 31.12 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 128.036 2.534 . . . . 0.0 113.881 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.08 -61.4 1.55 Allowed 'General case' 0 C--N 1.374 1.673 0 C-N-CA 130.177 3.391 . . . . 0.0 109.35 171.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 145.8 52.08 0.03 OUTLIER Glycine 0 C--N 1.379 2.929 0 C-N-CA 126.54 2.019 . . . . 0.0 115.934 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -118.08 -77.35 0.57 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 126.243 1.817 . . . . 0.0 113.557 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.777 0 C-N-CA 126.036 1.735 . . . . 0.0 112.521 -175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.545 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.6 mp . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -115.49 -51.74 2.68 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.071 2.948 . . . . 0.0 109.604 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -49.76 35.13 Favored 'General case' 0 C--N 1.364 1.228 1 C-N-CA 133.323 4.649 . . . . 0.0 116.232 176.048 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.545 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.2 p30 -58.1 -7.17 0.73 Allowed 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 129.063 2.945 . . . . 0.0 118.433 174.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.8 pt? -132.78 -43.48 0.9 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.038 2.935 . . . . 0.0 113.012 176.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -37.12 86.33 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.628 2.771 . . . . 0.0 115.848 174.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.34 13.28 33.71 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.174 2.589 . . . . 0.0 113.049 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 93.1 m -115.94 -61.42 1.74 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 130.113 3.365 . . . . 0.0 109.924 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.63 65.84 0.01 OUTLIER Glycine 0 C--N 1.377 2.85 0 C-N-CA 125.053 1.311 . . . . 0.0 116.263 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.264 14.7 tp -139.44 -88.58 0.2 Allowed 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.74 1.616 . . . . 0.0 112.451 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.918 0 C-N-CA 126.321 1.848 . . . . 0.0 111.811 -175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.562 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.0 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -114.87 -52.44 2.7 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 129.077 2.951 . . . . 0.0 109.47 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -50.38 36.6 Favored 'General case' 0 C--N 1.368 1.406 1 C-N-CA 133.149 4.579 . . . . 0.0 115.584 176.544 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.562 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.4 p30 -57.52 -8.17 0.78 Allowed 'General case' 0 C--N 1.377 1.801 0 C-N-CA 128.581 2.752 . . . . 0.0 118.419 174.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.299 2.0 pt? -131.95 -40.17 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.34 3.056 . . . . 0.0 113.123 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.28 82.1 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 128.325 2.65 . . . . 0.0 114.823 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.69 17.22 22.49 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 128.097 2.559 . . . . 0.0 112.565 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 63.3 m -120.92 -61.46 1.55 Allowed 'General case' 0 C--N 1.372 1.553 0 C-N-CA 129.808 3.243 . . . . 0.0 109.511 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.93 57.77 0.01 OUTLIER Glycine 0 C--N 1.379 2.945 0 N-CA-C 117.904 1.922 . . . . 0.0 117.904 174.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.37 -82.83 0.54 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.059 1.744 . . . . 0.0 112.144 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.796 0 C-N-CA 125.912 1.685 . . . . 0.0 112.465 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.547 ' N ' HD21 ' A' ' 343' ' ' ASN . 27.2 mm . . . . . 0 N--CA 1.503 2.224 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -113.34 -54.57 2.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.976 2.911 . . . . 0.0 109.672 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -53.61 11.98 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.343 4.657 . . . . 0.0 116.507 177.172 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.547 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.4 p30 -53.21 -20.41 4.02 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 118.499 2.777 . . . . 0.0 118.499 175.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.266 1.9 pt? -118.8 -34.69 3.87 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.397 2.679 . . . . 0.0 113.946 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -48.64 75.45 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 129.171 2.988 . . . . 0.0 113.694 172.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.34 1.05 38.89 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 128.019 2.528 . . . . 0.0 114.514 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.6 t -98.73 -58.22 2.0 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 129.433 3.093 . . . . 0.0 110.487 169.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.09 46.95 0.05 OUTLIER Glycine 0 C--N 1.373 2.609 0 N-CA-C 117.846 1.899 . . . . 0.0 117.846 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.55 -72.19 0.72 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.833 1.653 . . . . 0.0 113.157 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.771 0 C-N-CA 125.563 1.545 . . . . 0.0 112.578 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.507 ' N ' HD21 ' A' ' 343' ' ' ASN . 33.0 mm . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -113.3 -49.2 2.92 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.394 2.678 . . . . 0.0 109.66 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -52.58 54.67 Favored 'General case' 0 C--N 1.373 1.623 1 C-N-CA 133.701 4.8 . . . . 0.0 115.713 178.662 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.507 HD21 ' N ' ' A' ' 340' ' ' ILE . 4.7 p30 -52.57 -24.46 8.27 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.922 2.889 . . . . 0.0 118.099 175.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.276 1.7 pt? -110.21 -33.62 6.6 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.649 2.78 . . . . 0.0 113.758 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -37.46 86.76 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 128.983 2.913 . . . . 0.0 114.864 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.5 8.43 43.31 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 129.081 2.952 . . . . 0.0 113.847 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.39 -59.15 1.78 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 130.048 3.339 . . . . 0.0 109.734 168.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.98 47.79 0.04 OUTLIER Glycine 0 C--N 1.379 2.933 0 C-N-CA 126.333 1.921 . . . . 0.0 116.454 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.91 -70.17 0.83 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.941 1.696 . . . . 0.0 114.452 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.943 0 CA-C-N 120.142 1.337 . . . . 0.0 114.238 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.586 ' N ' HD21 ' A' ' 343' ' ' ASN . 29.5 mm . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 119.738 -0.172 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -113.61 -55.44 2.51 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.192 2.997 . . . . 0.0 108.789 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -52.44 13.94 Favored 'General case' 0 C--N 1.364 1.214 1 C-N-CA 133.233 4.613 . . . . 0.0 116.38 176.758 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.586 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.2 p30 -53.13 -20.51 3.87 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 174.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.7 pt? -118.5 -39.37 3.02 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 129.003 2.921 . . . . 0.0 112.819 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.07 86.27 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.662 2.785 . . . . 0.0 115.178 173.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.85 9.1 42.8 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 128.558 2.743 . . . . 0.0 113.28 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.6 t -105.2 -61.04 1.53 Allowed 'General case' 0 C--N 1.37 1.48 0 C-N-CA 130.605 3.562 . . . . 0.0 109.29 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.7 55.57 0.02 OUTLIER Glycine 0 C--N 1.382 3.126 0 C-N-CA 125.891 1.71 . . . . 0.0 115.523 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.86 -82.57 0.65 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.76 2.024 . . . . 0.0 112.301 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.886 0 C-N-CA 126.385 1.874 . . . . 0.0 112.044 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.514 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.0 mp . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -110.87 -59.7 1.93 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.68 2.392 . . . . 0.0 109.043 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -51.8 1.87 Allowed 'General case' 0 C--N 1.363 1.174 1 C-N-CA 133.307 4.643 . . . . 0.0 117.026 178.025 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 343' ' ' ASN . . . . . 0.514 HD21 ' N ' ' A' ' 340' ' ' ILE . 4.9 p30 -56.01 -21.38 21.08 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 128.638 2.775 . . . . 0.0 118.034 173.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.296 1.6 pt? -121.55 -39.96 2.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.88 2.472 . . . . 0.0 113.443 177.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -37.21 86.5 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 130.078 3.351 . . . . 0.0 114.764 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.78 15.2 29.14 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 128.052 2.541 . . . . 0.0 112.61 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.2 t -111.06 -62.51 1.53 Allowed 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.084 3.354 . . . . 0.0 109.108 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.7 48.45 0.01 OUTLIER Glycine 0 C--N 1.377 2.826 0 N-CA-C 117.149 1.62 . . . . 0.0 117.149 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.19 -86.32 0.65 Allowed 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.725 1.61 . . . . 0.0 111.709 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.786 0 C-N-CA 126.634 1.974 . . . . 0.0 112.141 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.598 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.1 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.12 -45.57 2.84 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.42 3.088 . . . . 0.0 109.858 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -50.21 65.35 Favored 'General case' 0 C--N 1.368 1.375 1 C-N-CA 133.455 4.702 . . . . 0.0 115.446 175.294 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.4 p30 -57.4 -8.46 0.79 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 128.384 2.674 . . . . 0.0 118.158 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.4 pt? -125.36 -38.46 2.28 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 129.667 3.187 . . . . 0.0 112.1 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -38.47 91.13 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 128.22 2.608 . . . . 0.0 115.227 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.64 31.02 3.66 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 129.134 2.973 . . . . 0.0 112.276 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 54.5 m -135.91 -62.25 0.69 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 131.104 3.762 . . . . 0.0 108.827 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 152.05 67.38 0.01 OUTLIER Glycine 0 C--N 1.38 2.986 0 C-N-CA 125.333 1.444 . . . . 0.0 116.057 173.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.48 -83.8 0.4 Allowed 'General case' 0 C--N 1.372 1.563 0 C-N-CA 125.622 1.569 . . . . 0.0 112.308 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.825 0 C-N-CA 127.051 2.14 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.498 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.1 mp . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.721 2.008 . . . . 0.0 109.312 170.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -52.37 2.15 Favored 'General case' 0 C--N 1.363 1.194 1 C-N-CA 132.836 4.454 . . . . 0.0 117.121 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.498 HD21 ' N ' ' A' ' 340' ' ' ILE . 5.3 p30 -56.59 -21.55 27.57 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.828 2.851 . . . . 0.0 118.223 175.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 2.1 pt? -124.27 -38.41 2.44 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.485 2.714 . . . . 0.0 113.861 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -34.91 78.86 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 129.617 3.167 . . . . 0.0 114.961 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -96.52 7.07 47.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 127.184 2.194 . . . . 0.0 113.69 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 10.0 t -103.13 -61.15 1.44 Allowed 'General case' 0 C--N 1.374 1.65 0 C-N-CA 129.395 3.078 . . . . 0.0 109.783 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 148.65 51.62 0.02 OUTLIER Glycine 0 C--N 1.376 2.756 0 C-N-CA 126.031 1.777 . . . . 0.0 116.757 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 2.5 tt -118.55 -81.33 0.63 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.371 1.868 . . . . 0.0 112.61 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.809 0 C-N-CA 126.98 2.112 . . . . 0.0 111.354 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.598 ' N ' HD21 ' A' ' 343' ' ' ASN . 1.9 mp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 119.821 -0.133 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.08 -48.09 2.55 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.826 2.85 . . . . 0.0 109.672 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -49.5 62.44 Favored 'General case' 0 C--N 1.365 1.25 1 C-N-CA 133.19 4.596 . . . . 0.0 116.221 174.235 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.2 p30 -56.99 -9.42 0.83 Allowed 'General case' 0 C--N 1.378 1.837 0 C-N-CA 128.969 2.907 . . . . 0.0 118.689 174.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.3 1.6 pt? -127.19 -37.92 2.02 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 129.637 3.175 . . . . 0.0 112.236 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -37.81 87.99 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.279 2.632 . . . . 0.0 114.884 171.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.27 34.93 2.72 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.685 2.394 . . . . 0.0 111.717 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 49.8 m -138.68 -63.86 0.53 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 131.402 3.881 . . . . 0.0 108.672 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 151.58 68.68 0.01 OUTLIER Glycine 0 C--N 1.379 2.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.744 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.94 -82.67 0.29 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.683 1.593 . . . . 0.0 111.646 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.902 0 C-N-CA 126.661 1.984 . . . . 0.0 113.0 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.605 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.1 mp . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -116.83 -46.27 2.75 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.456 3.103 . . . . 0.0 110.366 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -50.57 66.65 Favored 'General case' 0 C--N 1.369 1.423 1 C-N-CA 133.21 4.604 . . . . 0.0 115.091 176.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.605 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.0 p30 -54.63 -11.28 0.55 Allowed 'General case' 0 C--N 1.378 1.841 0 C-N-CA 129.361 3.065 . . . . 0.0 118.25 174.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.6 pt? -124.3 -40.56 2.24 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 130.098 3.359 . . . . 0.0 112.319 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -61.83 -38.35 87.86 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 128.41 2.684 . . . . 0.0 115.91 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.16 -0.12 55.43 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.132 2.973 . . . . 0.0 113.715 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 97.6 m -102.7 -56.65 2.2 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 130.321 3.449 . . . . 0.0 110.897 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.62 65.96 0.01 OUTLIER Glycine 0 C--N 1.38 2.998 0 C-N-CA 126.189 1.852 . . . . 0.0 116.765 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -134.96 -82.62 0.43 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.714 1.606 . . . . 0.0 112.806 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 2.008 0 C-N-CA 126.823 2.049 . . . . 0.0 112.479 -175.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.482 ' N ' HD21 ' A' ' 343' ' ' ASN . 8.5 tp . . . . . 0 N--CA 1.501 2.107 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -114.12 -60.04 1.94 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.645 2.778 . . . . 0.0 108.357 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -54.1 6.79 Favored 'General case' 0 C--N 1.364 1.221 1 C-N-CA 133.964 4.906 . . . . 0.0 116.887 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 340' ' ' ILE . 5.3 p30 -53.81 -20.43 5.75 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.9 pt? -121.4 -34.01 3.54 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.924 2.89 . . . . 0.0 113.609 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.27 -52.12 66.08 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 129.218 3.007 . . . . 0.0 113.001 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -79.76 2.14 24.03 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.749 2.419 . . . . 0.0 115.061 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 14.9 t -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 130.37 3.468 . . . . 0.0 109.867 167.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 135.6 38.68 0.17 Allowed Glycine 0 C--N 1.376 2.776 0 C-N-CA 126.852 2.168 . . . . 0.0 117.392 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.2 -63.61 1.12 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.63 1.972 . . . . 0.0 114.024 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 -177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.529 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.3 mp . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -112.92 -53.8 2.68 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 128.627 2.771 . . . . 0.0 109.154 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -50.32 30.26 Favored 'General case' 0 C--N 1.365 1.272 1 C-N-CA 133.401 4.68 . . . . 0.0 116.306 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.529 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.0 p30 -57.87 -8.92 1.09 Allowed 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 129.289 3.036 . . . . 0.0 118.102 175.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.8 pt? -131.42 -44.49 1.01 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.462 3.105 . . . . 0.0 112.415 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -37.08 86.03 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 128.307 2.643 . . . . 0.0 115.615 175.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.41 11.26 39.62 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 128.069 2.547 . . . . 0.0 113.071 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 90.2 m -113.18 -61.0 1.8 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 130.477 3.511 . . . . 0.0 109.928 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.53 67.1 0.01 OUTLIER Glycine 0 C--N 1.375 2.738 0 C-N-CA 125.565 1.555 . . . . 0.0 116.779 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.26 12.4 tp -140.14 -88.36 0.19 Allowed 'General case' 0 C--N 1.37 1.498 0 C-N-CA 125.581 1.552 . . . . 0.0 112.779 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.875 0 C-N-CA 126.224 1.81 . . . . 0.0 112.208 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.516 ' N ' HD21 ' A' ' 343' ' ' ASN . 21.8 mm . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 119.453 -0.308 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -115.26 -56.04 2.4 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.871 2.468 . . . . 0.0 109.524 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -47.57 5.03 Favored 'General case' 0 C--N 1.366 1.321 1 C-N-CA 132.763 4.425 . . . . 0.0 116.738 176.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.516 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.3 p30 -60.15 -11.36 5.95 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 128.668 2.787 . . . . 0.0 118.4 171.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.314 1.9 pt? -132.25 -44.36 0.93 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.685 2.394 . . . . 0.0 113.401 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -38.57 91.53 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 130.112 3.365 . . . . 0.0 114.825 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.77 9.61 42.18 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 128.116 2.566 . . . . 0.0 113.099 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 91.4 m -111.56 -58.64 2.09 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 129.882 3.273 . . . . 0.0 110.556 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 156.57 58.25 0.01 OUTLIER Glycine 0 C--N 1.384 3.218 0 N-CA-C 117.173 1.629 . . . . 0.0 117.173 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.266 19.8 tp -137.88 -93.42 0.21 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 126.086 1.755 . . . . 0.0 112.06 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.377 1.785 0 C-N-CA 126.655 1.982 . . . . 0.0 111.903 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.56 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.4 mp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -113.38 -55.95 2.46 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 129.029 2.931 . . . . 0.0 109.392 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -53.54 7.46 Favored 'General case' 0 CA--C 1.558 1.256 1 C-N-CA 133.21 4.604 . . . . 0.0 117.089 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.56 HD21 ' N ' ' A' ' 340' ' ' ILE . 5.8 p30 -54.7 -21.19 10.04 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.818 2.847 . . . . 0.0 117.97 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.8 pt? -118.39 -35.67 3.72 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.888 2.875 . . . . 0.0 113.799 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -48.73 73.26 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 129.375 3.07 . . . . 0.0 113.31 172.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.87 10.41 9.73 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 127.703 2.401 . . . . 0.0 114.282 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.9 t -107.46 -61.64 1.53 Allowed 'General case' 0 C--N 1.374 1.671 0 C-N-CA 130.554 3.542 . . . . 0.0 109.407 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.34 56.13 0.03 OUTLIER Glycine 0 C--N 1.376 2.789 0 C-N-CA 126.269 1.89 . . . . 0.0 115.924 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -118.94 -74.24 0.61 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.286 1.835 . . . . 0.0 112.812 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 1.986 0 C-N-CA 125.984 1.714 . . . . 0.0 113.096 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.528 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.7 mp . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -113.07 -57.73 2.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 127.519 2.327 . . . . 0.0 109.137 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -49.7 2.71 Favored 'General case' 0 CA--C 1.563 1.448 1 C-N-CA 132.625 4.37 . . . . 0.0 117.105 176.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.528 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.2 p30 -59.22 -11.27 3.7 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 129.097 2.959 . . . . 0.0 117.993 173.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.321 2.0 pt? -132.56 -43.46 0.92 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.373 2.669 . . . . 0.0 113.211 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.16 -36.72 84.55 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 130.33 3.452 . . . . 0.0 115.497 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.75 13.31 34.74 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 128.03 2.532 . . . . 0.0 112.908 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 94.3 m -116.95 -58.16 2.1 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 130.315 3.446 . . . . 0.0 110.328 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.03 62.34 0.01 OUTLIER Glycine 0 C--N 1.376 2.754 0 C-N-CA 125.59 1.567 . . . . 0.0 116.645 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.26 -88.56 0.24 Allowed 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.721 1.608 . . . . 0.0 111.433 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.896 0 C-N-CA 126.582 1.953 . . . . 0.0 111.769 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.563 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.9 mp . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.171 0.034 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -115.47 -52.77 2.64 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.021 2.928 . . . . 0.0 109.038 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -50.46 29.48 Favored 'General case' 0 CA--C 1.561 1.379 1 C-N-CA 132.797 4.439 . . . . 0.0 115.983 177.213 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.563 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.5 p30 -57.92 -9.11 1.18 Allowed 'General case' 0 C--N 1.375 1.7 0 C-N-CA 129.009 2.924 . . . . 0.0 118.381 174.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.292 1.9 pt? -131.06 -42.74 1.08 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.489 3.116 . . . . 0.0 112.14 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.15 -35.55 81.44 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.762 2.825 . . . . 0.0 115.324 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.62 18.0 20.38 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 127.972 2.509 . . . . 0.0 113.021 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.91 -61.77 1.41 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 130.367 3.467 . . . . 0.0 109.834 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.67 68.47 0.01 OUTLIER Glycine 0 C--N 1.378 2.881 0 C-N-CA 125.304 1.431 . . . . 0.0 115.98 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.7 tt -138.67 -85.31 0.26 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.756 1.622 . . . . 0.0 112.037 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.799 0 C-N-CA 126.527 1.931 . . . . 0.0 111.885 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.506 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.8 mp . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -115.15 -55.85 2.43 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.998 2.519 . . . . 0.0 109.031 176.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -48.85 3.71 Favored 'General case' 0 CA--C 1.56 1.357 1 C-N-CA 132.524 4.33 . . . . 0.0 116.74 176.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.506 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.4 p30 -60.47 -9.23 3.41 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.965 2.906 . . . . 0.0 118.163 172.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.312 1.9 pt? -134.35 -43.35 0.78 Allowed 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.986 2.514 . . . . 0.0 113.536 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.66 88.24 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.05 3.34 . . . . 0.0 115.372 175.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.82 4.23 45.15 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 128.378 2.671 . . . . 0.0 113.688 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 84.3 m -107.2 -57.48 2.07 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.798 3.239 . . . . 0.0 110.651 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.59 60.67 0.01 OUTLIER Glycine 0 C--N 1.379 2.942 0 N-CA-C 117.806 1.882 . . . . 0.0 117.806 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 17.9 tp -139.18 -90.63 0.19 Allowed 'General case' 0 C--N 1.37 1.493 0 C-N-CA 125.952 1.701 . . . . 0.0 111.565 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.815 0 C-N-CA 126.442 1.897 . . . . 0.0 111.706 -177.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.583 ' N ' HD21 ' A' ' 343' ' ' ASN . 1.8 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -114.97 -56.53 2.37 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.504 2.722 . . . . 0.0 108.503 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -51.96 7.16 Favored 'General case' 0 C--N 1.369 1.452 1 C-N-CA 133.174 4.59 . . . . 0.0 116.586 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.583 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.6 p30 -55.09 -20.1 9.01 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 129.134 2.974 . . . . 0.0 118.247 175.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.311 2.0 pt? -121.04 -36.66 3.09 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.249 2.62 . . . . 0.0 113.825 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -42.73 99.1 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 128.773 2.829 . . . . 0.0 113.555 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.07 2.21 55.48 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 128.613 2.765 . . . . 0.0 114.036 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.64 -58.28 1.91 Allowed 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.252 3.021 . . . . 0.0 110.699 171.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.02 55.06 0.03 OUTLIER Glycine 0 C--N 1.375 2.7 0 C-N-CA 126.432 1.968 . . . . 0.0 116.111 175.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.14 -77.52 0.59 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.272 1.829 . . . . 0.0 112.47 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.884 0 C-N-CA 126.239 1.816 . . . . 0.0 112.177 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.604 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.5 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.06 -44.62 2.9 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 129.611 3.164 . . . . 0.0 110.517 -177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -50.1 69.63 Favored 'General case' 0 C--N 1.369 1.446 1 C-N-CA 133.199 4.6 . . . . 0.0 115.423 175.465 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.604 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.6 p30 -57.32 -5.5 0.32 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 128.751 2.82 . . . . 0.0 118.502 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.279 1.5 pt? -129.39 -39.52 1.49 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.988 3.315 . . . . 0.0 111.838 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.5 91.32 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.633 2.773 . . . . 0.0 115.159 171.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.21 31.71 3.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 128.416 2.686 . . . . 0.0 111.903 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 57.7 m -137.32 -64.54 0.56 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 130.902 3.681 . . . . 0.0 108.209 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.69 65.99 0.01 OUTLIER Glycine 0 C--N 1.374 2.662 0 C-N-CA 125.277 1.418 . . . . 0.0 116.446 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 15.3 tp -138.13 -84.05 0.3 Allowed 'General case' 0 C--N 1.367 1.36 0 CA-C-N 118.804 1.302 . . . . 0.0 112.167 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.266 1.944 0 C-N-CA 126.049 1.74 . . . . 0.0 112.932 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.518 ' N ' HD21 ' A' ' 343' ' ' ASN . 8.7 tp . . . . . 0 N--CA 1.504 2.254 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -115.36 -58.67 2.1 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 129.061 2.944 . . . . 0.0 108.651 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.73 -53.34 9.6 Favored 'General case' 0 C--N 1.362 1.123 1 C-N-CA 133.524 4.729 . . . . 0.0 116.482 178.113 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.518 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.1 p30 -53.9 -18.47 3.42 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.789 2.835 . . . . 0.0 118.624 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.295 1.9 pt? -122.62 -35.98 2.99 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.876 2.87 . . . . 0.0 113.013 177.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.38 95.39 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 129.13 2.972 . . . . 0.0 113.769 171.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -92.26 10.09 31.12 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 128.036 2.534 . . . . 0.0 113.881 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.08 -61.4 1.55 Allowed 'General case' 0 C--N 1.374 1.673 0 C-N-CA 130.177 3.391 . . . . 0.0 109.35 171.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 145.8 52.08 0.03 OUTLIER Glycine 0 C--N 1.379 2.929 0 C-N-CA 126.54 2.019 . . . . 0.0 115.934 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -118.08 -77.35 0.57 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 126.243 1.817 . . . . 0.0 113.557 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.777 0 C-N-CA 126.036 1.735 . . . . 0.0 112.521 -175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.545 ' N ' HD21 ' A' ' 343' ' ' ASN . 2.6 mp . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -115.49 -51.74 2.68 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.071 2.948 . . . . 0.0 109.604 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -49.76 35.13 Favored 'General case' 0 C--N 1.364 1.228 1 C-N-CA 133.323 4.649 . . . . 0.0 116.232 176.048 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.545 HD21 ' N ' ' A' ' 340' ' ' ILE . 7.2 p30 -58.1 -7.17 0.73 Allowed 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 129.063 2.945 . . . . 0.0 118.433 174.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.8 pt? -132.78 -43.48 0.9 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.038 2.935 . . . . 0.0 113.012 176.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -37.12 86.33 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.628 2.771 . . . . 0.0 115.848 174.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.34 13.28 33.71 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.174 2.589 . . . . 0.0 113.049 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 93.1 m -115.94 -61.42 1.74 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 130.113 3.365 . . . . 0.0 109.924 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.63 65.84 0.01 OUTLIER Glycine 0 C--N 1.377 2.85 0 C-N-CA 125.053 1.311 . . . . 0.0 116.263 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.264 14.7 tp -139.44 -88.58 0.2 Allowed 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.74 1.616 . . . . 0.0 112.451 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.918 0 C-N-CA 126.321 1.848 . . . . 0.0 111.811 -175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.562 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.0 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -114.87 -52.44 2.7 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 129.077 2.951 . . . . 0.0 109.47 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -50.38 36.6 Favored 'General case' 0 C--N 1.368 1.406 1 C-N-CA 133.149 4.579 . . . . 0.0 115.584 176.544 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.562 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.4 p30 -57.52 -8.17 0.78 Allowed 'General case' 0 C--N 1.377 1.801 0 C-N-CA 128.581 2.752 . . . . 0.0 118.419 174.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.299 2.0 pt? -131.95 -40.17 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.34 3.056 . . . . 0.0 113.123 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.28 82.1 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 128.325 2.65 . . . . 0.0 114.823 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.69 17.22 22.49 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 128.097 2.559 . . . . 0.0 112.565 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 63.3 m -120.92 -61.46 1.55 Allowed 'General case' 0 C--N 1.372 1.553 0 C-N-CA 129.808 3.243 . . . . 0.0 109.511 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.93 57.77 0.01 OUTLIER Glycine 0 C--N 1.379 2.945 0 N-CA-C 117.904 1.922 . . . . 0.0 117.904 174.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.37 -82.83 0.54 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.059 1.744 . . . . 0.0 112.144 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.796 0 C-N-CA 125.912 1.685 . . . . 0.0 112.465 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.547 ' N ' HD21 ' A' ' 343' ' ' ASN . 27.2 mm . . . . . 0 N--CA 1.503 2.224 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -113.34 -54.57 2.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.976 2.911 . . . . 0.0 109.672 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -53.61 11.98 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.343 4.657 . . . . 0.0 116.507 177.172 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.547 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.4 p30 -53.21 -20.41 4.02 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 118.499 2.777 . . . . 0.0 118.499 175.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.266 1.9 pt? -118.8 -34.69 3.87 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.397 2.679 . . . . 0.0 113.946 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -48.64 75.45 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 129.171 2.988 . . . . 0.0 113.694 172.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.34 1.05 38.89 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 128.019 2.528 . . . . 0.0 114.514 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.6 t -98.73 -58.22 2.0 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 129.433 3.093 . . . . 0.0 110.487 169.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.09 46.95 0.05 OUTLIER Glycine 0 C--N 1.373 2.609 0 N-CA-C 117.846 1.899 . . . . 0.0 117.846 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.55 -72.19 0.72 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.833 1.653 . . . . 0.0 113.157 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.771 0 C-N-CA 125.563 1.545 . . . . 0.0 112.578 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.507 ' N ' HD21 ' A' ' 343' ' ' ASN . 33.0 mm . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -113.3 -49.2 2.92 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.394 2.678 . . . . 0.0 109.66 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -52.58 54.67 Favored 'General case' 0 C--N 1.373 1.623 1 C-N-CA 133.701 4.8 . . . . 0.0 115.713 178.662 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.507 HD21 ' N ' ' A' ' 340' ' ' ILE . 4.7 p30 -52.57 -24.46 8.27 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.922 2.889 . . . . 0.0 118.099 175.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.276 1.7 pt? -110.21 -33.62 6.6 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.649 2.78 . . . . 0.0 113.758 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -37.46 86.76 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 128.983 2.913 . . . . 0.0 114.864 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.5 8.43 43.31 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 129.081 2.952 . . . . 0.0 113.847 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.39 -59.15 1.78 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 130.048 3.339 . . . . 0.0 109.734 168.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.98 47.79 0.04 OUTLIER Glycine 0 C--N 1.379 2.933 0 C-N-CA 126.333 1.921 . . . . 0.0 116.454 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.91 -70.17 0.83 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.941 1.696 . . . . 0.0 114.452 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.943 0 CA-C-N 120.142 1.337 . . . . 0.0 114.238 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.586 ' N ' HD21 ' A' ' 343' ' ' ASN . 29.5 mm . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 119.738 -0.172 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -113.61 -55.44 2.51 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.192 2.997 . . . . 0.0 108.789 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -52.44 13.94 Favored 'General case' 0 C--N 1.364 1.214 1 C-N-CA 133.233 4.613 . . . . 0.0 116.38 176.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.586 HD21 ' N ' ' A' ' 340' ' ' ILE . 6.2 p30 -53.13 -20.51 3.87 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 174.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.7 pt? -118.5 -39.37 3.02 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 129.003 2.921 . . . . 0.0 112.819 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.07 86.27 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.662 2.785 . . . . 0.0 115.178 173.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.85 9.1 42.8 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 128.558 2.743 . . . . 0.0 113.28 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.6 t -105.2 -61.04 1.53 Allowed 'General case' 0 C--N 1.37 1.48 0 C-N-CA 130.605 3.562 . . . . 0.0 109.29 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.7 55.57 0.02 OUTLIER Glycine 0 C--N 1.382 3.126 0 C-N-CA 125.891 1.71 . . . . 0.0 115.523 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.86 -82.57 0.65 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.76 2.024 . . . . 0.0 112.301 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.886 0 C-N-CA 126.385 1.874 . . . . 0.0 112.044 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.514 ' N ' HD21 ' A' ' 343' ' ' ASN . 3.0 mp . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -110.87 -59.7 1.93 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.68 2.392 . . . . 0.0 109.043 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -51.8 1.87 Allowed 'General case' 0 C--N 1.363 1.174 1 C-N-CA 133.307 4.643 . . . . 0.0 117.026 178.025 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 343' ' ' ASN . . . . . 0.514 HD21 ' N ' ' A' ' 340' ' ' ILE . 4.9 p30 -56.01 -21.38 21.08 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 128.638 2.775 . . . . 0.0 118.034 173.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.296 1.6 pt? -121.55 -39.96 2.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.88 2.472 . . . . 0.0 113.443 177.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -37.21 86.5 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 130.078 3.351 . . . . 0.0 114.764 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.78 15.2 29.14 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 128.052 2.541 . . . . 0.0 112.61 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.2 t -111.06 -62.51 1.53 Allowed 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.084 3.354 . . . . 0.0 109.108 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.7 48.45 0.01 OUTLIER Glycine 0 C--N 1.377 2.826 0 N-CA-C 117.149 1.62 . . . . 0.0 117.149 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.19 -86.32 0.65 Allowed 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.725 1.61 . . . . 0.0 111.709 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.786 0 C-N-CA 126.634 1.974 . . . . 0.0 112.141 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.12 -45.57 2.84 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.42 3.088 . . . . 0.0 109.858 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -50.21 65.35 Favored 'General case' 0 C--N 1.368 1.375 1 C-N-CA 133.455 4.702 . . . . 0.0 115.446 175.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -8.46 0.79 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 128.384 2.674 . . . . 0.0 118.158 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.4 pt? -125.36 -38.46 2.28 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 129.667 3.187 . . . . 0.0 112.1 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -38.47 91.13 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 128.22 2.608 . . . . 0.0 115.227 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.64 31.02 3.66 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 129.134 2.973 . . . . 0.0 112.276 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 54.5 m -135.91 -62.25 0.69 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 131.104 3.762 . . . . 0.0 108.827 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 152.05 67.38 0.01 OUTLIER Glycine 0 C--N 1.38 2.986 0 C-N-CA 125.333 1.444 . . . . 0.0 116.057 173.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.48 -83.8 0.4 Allowed 'General case' 0 C--N 1.372 1.563 0 C-N-CA 125.622 1.569 . . . . 0.0 112.308 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.825 0 C-N-CA 127.051 2.14 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.721 2.008 . . . . 0.0 109.312 170.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -52.37 2.15 Favored 'General case' 0 C--N 1.363 1.194 1 C-N-CA 132.836 4.454 . . . . 0.0 117.121 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -56.59 -21.55 27.57 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.828 2.851 . . . . 0.0 118.223 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 2.1 pt? -124.27 -38.41 2.44 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.485 2.714 . . . . 0.0 113.861 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -34.91 78.86 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 129.617 3.167 . . . . 0.0 114.961 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -96.52 7.07 47.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 127.184 2.194 . . . . 0.0 113.69 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 10.0 t -103.13 -61.15 1.44 Allowed 'General case' 0 C--N 1.374 1.65 0 C-N-CA 129.395 3.078 . . . . 0.0 109.783 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 148.65 51.62 0.02 OUTLIER Glycine 0 C--N 1.376 2.756 0 C-N-CA 126.031 1.777 . . . . 0.0 116.757 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 2.5 tt -118.55 -81.33 0.63 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.371 1.868 . . . . 0.0 112.61 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.809 0 C-N-CA 126.98 2.112 . . . . 0.0 111.354 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 119.821 -0.133 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.08 -48.09 2.55 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.826 2.85 . . . . 0.0 109.672 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -49.5 62.44 Favored 'General case' 0 C--N 1.365 1.25 1 C-N-CA 133.19 4.596 . . . . 0.0 116.221 174.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -9.42 0.83 Allowed 'General case' 0 C--N 1.378 1.837 0 C-N-CA 128.969 2.907 . . . . 0.0 118.689 174.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.3 1.6 pt? -127.19 -37.92 2.02 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 129.637 3.175 . . . . 0.0 112.236 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -37.81 87.99 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.279 2.632 . . . . 0.0 114.884 171.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.27 34.93 2.72 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.685 2.394 . . . . 0.0 111.717 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 49.8 m -138.68 -63.86 0.53 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 131.402 3.881 . . . . 0.0 108.672 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 151.58 68.68 0.01 OUTLIER Glycine 0 C--N 1.379 2.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.744 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.94 -82.67 0.29 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.683 1.593 . . . . 0.0 111.646 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.902 0 C-N-CA 126.661 1.984 . . . . 0.0 113.0 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -116.83 -46.27 2.75 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.456 3.103 . . . . 0.0 110.366 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -50.57 66.65 Favored 'General case' 0 C--N 1.369 1.423 1 C-N-CA 133.21 4.604 . . . . 0.0 115.091 176.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -11.28 0.55 Allowed 'General case' 0 C--N 1.378 1.841 0 C-N-CA 129.361 3.065 . . . . 0.0 118.25 174.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.6 pt? -124.3 -40.56 2.24 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 130.098 3.359 . . . . 0.0 112.319 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -61.83 -38.35 87.86 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 128.41 2.684 . . . . 0.0 115.91 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.16 -0.12 55.43 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.132 2.973 . . . . 0.0 113.715 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 97.6 m -102.7 -56.65 2.2 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 130.321 3.449 . . . . 0.0 110.897 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.62 65.96 0.01 OUTLIER Glycine 0 C--N 1.38 2.998 0 C-N-CA 126.189 1.852 . . . . 0.0 116.765 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -134.96 -82.62 0.43 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.714 1.606 . . . . 0.0 112.806 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 2.008 0 C-N-CA 126.823 2.049 . . . . 0.0 112.479 -175.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.501 2.107 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -114.12 -60.04 1.94 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.645 2.778 . . . . 0.0 108.357 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -54.1 6.79 Favored 'General case' 0 C--N 1.364 1.221 1 C-N-CA 133.964 4.906 . . . . 0.0 116.887 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -53.81 -20.43 5.75 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.9 pt? -121.4 -34.01 3.54 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.924 2.89 . . . . 0.0 113.609 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.27 -52.12 66.08 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 129.218 3.007 . . . . 0.0 113.001 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -79.76 2.14 24.03 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.749 2.419 . . . . 0.0 115.061 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 14.9 t -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 130.37 3.468 . . . . 0.0 109.867 167.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 135.6 38.68 0.17 Allowed Glycine 0 C--N 1.376 2.776 0 C-N-CA 126.852 2.168 . . . . 0.0 117.392 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.2 -63.61 1.12 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.63 1.972 . . . . 0.0 114.024 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 -177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -112.92 -53.8 2.68 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 128.627 2.771 . . . . 0.0 109.154 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -50.32 30.26 Favored 'General case' 0 C--N 1.365 1.272 1 C-N-CA 133.401 4.68 . . . . 0.0 116.306 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -57.87 -8.92 1.09 Allowed 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 129.289 3.036 . . . . 0.0 118.102 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.8 pt? -131.42 -44.49 1.01 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.462 3.105 . . . . 0.0 112.415 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -37.08 86.03 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 128.307 2.643 . . . . 0.0 115.615 175.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.41 11.26 39.62 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 128.069 2.547 . . . . 0.0 113.071 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 90.2 m -113.18 -61.0 1.8 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 130.477 3.511 . . . . 0.0 109.928 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.53 67.1 0.01 OUTLIER Glycine 0 C--N 1.375 2.738 0 C-N-CA 125.565 1.555 . . . . 0.0 116.779 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.26 12.4 tp -140.14 -88.36 0.19 Allowed 'General case' 0 C--N 1.37 1.498 0 C-N-CA 125.581 1.552 . . . . 0.0 112.779 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.875 0 C-N-CA 126.224 1.81 . . . . 0.0 112.208 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 21.8 mm . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 119.453 -0.308 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -115.26 -56.04 2.4 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.871 2.468 . . . . 0.0 109.524 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -47.57 5.03 Favored 'General case' 0 C--N 1.366 1.321 1 C-N-CA 132.763 4.425 . . . . 0.0 116.738 176.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.15 -11.36 5.95 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 128.668 2.787 . . . . 0.0 118.4 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.314 1.9 pt? -132.25 -44.36 0.93 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.685 2.394 . . . . 0.0 113.401 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -38.57 91.53 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 130.112 3.365 . . . . 0.0 114.825 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.77 9.61 42.18 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 128.116 2.566 . . . . 0.0 113.099 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 91.4 m -111.56 -58.64 2.09 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 129.882 3.273 . . . . 0.0 110.556 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 156.57 58.25 0.01 OUTLIER Glycine 0 C--N 1.384 3.218 0 N-CA-C 117.173 1.629 . . . . 0.0 117.173 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.266 19.8 tp -137.88 -93.42 0.21 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 126.086 1.755 . . . . 0.0 112.06 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.377 1.785 0 C-N-CA 126.655 1.982 . . . . 0.0 111.903 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -113.38 -55.95 2.46 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 129.029 2.931 . . . . 0.0 109.392 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -53.54 7.46 Favored 'General case' 0 CA--C 1.558 1.256 1 C-N-CA 133.21 4.604 . . . . 0.0 117.089 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -54.7 -21.19 10.04 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.818 2.847 . . . . 0.0 117.97 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.8 pt? -118.39 -35.67 3.72 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.888 2.875 . . . . 0.0 113.799 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -48.73 73.26 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 129.375 3.07 . . . . 0.0 113.31 172.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.87 10.41 9.73 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 127.703 2.401 . . . . 0.0 114.282 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.9 t -107.46 -61.64 1.53 Allowed 'General case' 0 C--N 1.374 1.671 0 C-N-CA 130.554 3.542 . . . . 0.0 109.407 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.34 56.13 0.03 OUTLIER Glycine 0 C--N 1.376 2.789 0 C-N-CA 126.269 1.89 . . . . 0.0 115.924 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -118.94 -74.24 0.61 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.286 1.835 . . . . 0.0 112.812 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 1.986 0 C-N-CA 125.984 1.714 . . . . 0.0 113.096 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -113.07 -57.73 2.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 127.519 2.327 . . . . 0.0 109.137 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -49.7 2.71 Favored 'General case' 0 CA--C 1.563 1.448 1 C-N-CA 132.625 4.37 . . . . 0.0 117.105 176.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.22 -11.27 3.7 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 129.097 2.959 . . . . 0.0 117.993 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.321 2.0 pt? -132.56 -43.46 0.92 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.373 2.669 . . . . 0.0 113.211 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.16 -36.72 84.55 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 130.33 3.452 . . . . 0.0 115.497 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.75 13.31 34.74 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 128.03 2.532 . . . . 0.0 112.908 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 94.3 m -116.95 -58.16 2.1 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 130.315 3.446 . . . . 0.0 110.328 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.03 62.34 0.01 OUTLIER Glycine 0 C--N 1.376 2.754 0 C-N-CA 125.59 1.567 . . . . 0.0 116.645 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.26 -88.56 0.24 Allowed 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.721 1.608 . . . . 0.0 111.433 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.896 0 C-N-CA 126.582 1.953 . . . . 0.0 111.769 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.171 0.034 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -115.47 -52.77 2.64 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.021 2.928 . . . . 0.0 109.038 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -50.46 29.48 Favored 'General case' 0 CA--C 1.561 1.379 1 C-N-CA 132.797 4.439 . . . . 0.0 115.983 177.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.92 -9.11 1.18 Allowed 'General case' 0 C--N 1.375 1.7 0 C-N-CA 129.009 2.924 . . . . 0.0 118.381 174.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.292 1.9 pt? -131.06 -42.74 1.08 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.489 3.116 . . . . 0.0 112.14 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.15 -35.55 81.44 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.762 2.825 . . . . 0.0 115.324 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.62 18.0 20.38 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 127.972 2.509 . . . . 0.0 113.021 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.91 -61.77 1.41 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 130.367 3.467 . . . . 0.0 109.834 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.67 68.47 0.01 OUTLIER Glycine 0 C--N 1.378 2.881 0 C-N-CA 125.304 1.431 . . . . 0.0 115.98 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.7 tt -138.67 -85.31 0.26 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.756 1.622 . . . . 0.0 112.037 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.799 0 C-N-CA 126.527 1.931 . . . . 0.0 111.885 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -115.15 -55.85 2.43 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.998 2.519 . . . . 0.0 109.031 176.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -48.85 3.71 Favored 'General case' 0 CA--C 1.56 1.357 1 C-N-CA 132.524 4.33 . . . . 0.0 116.74 176.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.47 -9.23 3.41 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.965 2.906 . . . . 0.0 118.163 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.312 1.9 pt? -134.35 -43.35 0.78 Allowed 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.986 2.514 . . . . 0.0 113.536 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.66 88.24 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.05 3.34 . . . . 0.0 115.372 175.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.82 4.23 45.15 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 128.378 2.671 . . . . 0.0 113.688 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 84.3 m -107.2 -57.48 2.07 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.798 3.239 . . . . 0.0 110.651 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.59 60.67 0.01 OUTLIER Glycine 0 C--N 1.379 2.942 0 N-CA-C 117.806 1.882 . . . . 0.0 117.806 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 17.9 tp -139.18 -90.63 0.19 Allowed 'General case' 0 C--N 1.37 1.493 0 C-N-CA 125.952 1.701 . . . . 0.0 111.565 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.815 0 C-N-CA 126.442 1.897 . . . . 0.0 111.706 -177.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -114.97 -56.53 2.37 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.504 2.722 . . . . 0.0 108.503 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -51.96 7.16 Favored 'General case' 0 C--N 1.369 1.452 1 C-N-CA 133.174 4.59 . . . . 0.0 116.586 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.09 -20.1 9.01 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 129.134 2.974 . . . . 0.0 118.247 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.311 2.0 pt? -121.04 -36.66 3.09 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.249 2.62 . . . . 0.0 113.825 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -42.73 99.1 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 128.773 2.829 . . . . 0.0 113.555 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.07 2.21 55.48 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 128.613 2.765 . . . . 0.0 114.036 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.64 -58.28 1.91 Allowed 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.252 3.021 . . . . 0.0 110.699 171.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.02 55.06 0.03 OUTLIER Glycine 0 C--N 1.375 2.7 0 C-N-CA 126.432 1.968 . . . . 0.0 116.111 175.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.14 -77.52 0.59 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.272 1.829 . . . . 0.0 112.47 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.884 0 C-N-CA 126.239 1.816 . . . . 0.0 112.177 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.06 -44.62 2.9 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 129.611 3.164 . . . . 0.0 110.517 -177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -50.1 69.63 Favored 'General case' 0 C--N 1.369 1.446 1 C-N-CA 133.199 4.6 . . . . 0.0 115.423 175.465 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -5.5 0.32 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 128.751 2.82 . . . . 0.0 118.502 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.279 1.5 pt? -129.39 -39.52 1.49 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.988 3.315 . . . . 0.0 111.838 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.5 91.32 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.633 2.773 . . . . 0.0 115.159 171.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.21 31.71 3.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 128.416 2.686 . . . . 0.0 111.903 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 57.7 m -137.32 -64.54 0.56 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 130.902 3.681 . . . . 0.0 108.209 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.69 65.99 0.01 OUTLIER Glycine 0 C--N 1.374 2.662 0 C-N-CA 125.277 1.418 . . . . 0.0 116.446 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 15.3 tp -138.13 -84.05 0.3 Allowed 'General case' 0 C--N 1.367 1.36 0 CA-C-N 118.804 1.302 . . . . 0.0 112.167 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.266 1.944 0 C-N-CA 126.049 1.74 . . . . 0.0 112.932 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.504 2.254 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -115.36 -58.67 2.1 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 129.061 2.944 . . . . 0.0 108.651 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.73 -53.34 9.6 Favored 'General case' 0 C--N 1.362 1.123 1 C-N-CA 133.524 4.729 . . . . 0.0 116.482 178.113 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -53.9 -18.47 3.42 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.789 2.835 . . . . 0.0 118.624 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.295 1.9 pt? -122.62 -35.98 2.99 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.876 2.87 . . . . 0.0 113.013 177.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.38 95.39 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 129.13 2.972 . . . . 0.0 113.769 171.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -92.26 10.09 31.12 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 128.036 2.534 . . . . 0.0 113.881 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.08 -61.4 1.55 Allowed 'General case' 0 C--N 1.374 1.673 0 C-N-CA 130.177 3.391 . . . . 0.0 109.35 171.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 145.8 52.08 0.03 OUTLIER Glycine 0 C--N 1.379 2.929 0 C-N-CA 126.54 2.019 . . . . 0.0 115.934 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -118.08 -77.35 0.57 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 126.243 1.817 . . . . 0.0 113.557 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.777 0 C-N-CA 126.036 1.735 . . . . 0.0 112.521 -175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -115.49 -51.74 2.68 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.071 2.948 . . . . 0.0 109.604 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -49.76 35.13 Favored 'General case' 0 C--N 1.364 1.228 1 C-N-CA 133.323 4.649 . . . . 0.0 116.232 176.048 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -58.1 -7.17 0.73 Allowed 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 129.063 2.945 . . . . 0.0 118.433 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.8 pt? -132.78 -43.48 0.9 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.038 2.935 . . . . 0.0 113.012 176.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -37.12 86.33 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.628 2.771 . . . . 0.0 115.848 174.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.34 13.28 33.71 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.174 2.589 . . . . 0.0 113.049 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 93.1 m -115.94 -61.42 1.74 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 130.113 3.365 . . . . 0.0 109.924 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.63 65.84 0.01 OUTLIER Glycine 0 C--N 1.377 2.85 0 C-N-CA 125.053 1.311 . . . . 0.0 116.263 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.264 14.7 tp -139.44 -88.58 0.2 Allowed 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.74 1.616 . . . . 0.0 112.451 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.918 0 C-N-CA 126.321 1.848 . . . . 0.0 111.811 -175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -114.87 -52.44 2.7 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 129.077 2.951 . . . . 0.0 109.47 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -50.38 36.6 Favored 'General case' 0 C--N 1.368 1.406 1 C-N-CA 133.149 4.579 . . . . 0.0 115.584 176.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -57.52 -8.17 0.78 Allowed 'General case' 0 C--N 1.377 1.801 0 C-N-CA 128.581 2.752 . . . . 0.0 118.419 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.299 2.0 pt? -131.95 -40.17 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.34 3.056 . . . . 0.0 113.123 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.28 82.1 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 128.325 2.65 . . . . 0.0 114.823 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.69 17.22 22.49 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 128.097 2.559 . . . . 0.0 112.565 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 63.3 m -120.92 -61.46 1.55 Allowed 'General case' 0 C--N 1.372 1.553 0 C-N-CA 129.808 3.243 . . . . 0.0 109.511 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.93 57.77 0.01 OUTLIER Glycine 0 C--N 1.379 2.945 0 N-CA-C 117.904 1.922 . . . . 0.0 117.904 174.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.37 -82.83 0.54 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.059 1.744 . . . . 0.0 112.144 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.796 0 C-N-CA 125.912 1.685 . . . . 0.0 112.465 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.503 2.224 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -113.34 -54.57 2.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.976 2.911 . . . . 0.0 109.672 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -53.61 11.98 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.343 4.657 . . . . 0.0 116.507 177.172 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -53.21 -20.41 4.02 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 118.499 2.777 . . . . 0.0 118.499 175.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.266 1.9 pt? -118.8 -34.69 3.87 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.397 2.679 . . . . 0.0 113.946 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -48.64 75.45 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 129.171 2.988 . . . . 0.0 113.694 172.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.34 1.05 38.89 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 128.019 2.528 . . . . 0.0 114.514 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.6 t -98.73 -58.22 2.0 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 129.433 3.093 . . . . 0.0 110.487 169.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.09 46.95 0.05 OUTLIER Glycine 0 C--N 1.373 2.609 0 N-CA-C 117.846 1.899 . . . . 0.0 117.846 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.55 -72.19 0.72 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.833 1.653 . . . . 0.0 113.157 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.771 0 C-N-CA 125.563 1.545 . . . . 0.0 112.578 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -113.3 -49.2 2.92 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.394 2.678 . . . . 0.0 109.66 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -52.58 54.67 Favored 'General case' 0 C--N 1.373 1.623 1 C-N-CA 133.701 4.8 . . . . 0.0 115.713 178.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -52.57 -24.46 8.27 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.922 2.889 . . . . 0.0 118.099 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.276 1.7 pt? -110.21 -33.62 6.6 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.649 2.78 . . . . 0.0 113.758 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -37.46 86.76 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 128.983 2.913 . . . . 0.0 114.864 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.5 8.43 43.31 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 129.081 2.952 . . . . 0.0 113.847 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.39 -59.15 1.78 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 130.048 3.339 . . . . 0.0 109.734 168.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.98 47.79 0.04 OUTLIER Glycine 0 C--N 1.379 2.933 0 C-N-CA 126.333 1.921 . . . . 0.0 116.454 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.91 -70.17 0.83 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.941 1.696 . . . . 0.0 114.452 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.943 0 CA-C-N 120.142 1.337 . . . . 0.0 114.238 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 29.5 mm . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 119.738 -0.172 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -113.61 -55.44 2.51 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.192 2.997 . . . . 0.0 108.789 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -52.44 13.94 Favored 'General case' 0 C--N 1.364 1.214 1 C-N-CA 133.233 4.613 . . . . 0.0 116.38 176.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -53.13 -20.51 3.87 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.7 pt? -118.5 -39.37 3.02 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 129.003 2.921 . . . . 0.0 112.819 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.07 86.27 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.662 2.785 . . . . 0.0 115.178 173.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.85 9.1 42.8 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 128.558 2.743 . . . . 0.0 113.28 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.6 t -105.2 -61.04 1.53 Allowed 'General case' 0 C--N 1.37 1.48 0 C-N-CA 130.605 3.562 . . . . 0.0 109.29 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.7 55.57 0.02 OUTLIER Glycine 0 C--N 1.382 3.126 0 C-N-CA 125.891 1.71 . . . . 0.0 115.523 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.86 -82.57 0.65 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.76 2.024 . . . . 0.0 112.301 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.886 0 C-N-CA 126.385 1.874 . . . . 0.0 112.044 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -110.87 -59.7 1.93 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.68 2.392 . . . . 0.0 109.043 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -51.8 1.87 Allowed 'General case' 0 C--N 1.363 1.174 1 C-N-CA 133.307 4.643 . . . . 0.0 117.026 178.025 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.01 -21.38 21.08 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 128.638 2.775 . . . . 0.0 118.034 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.296 1.6 pt? -121.55 -39.96 2.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.88 2.472 . . . . 0.0 113.443 177.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -37.21 86.5 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 130.078 3.351 . . . . 0.0 114.764 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.78 15.2 29.14 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 128.052 2.541 . . . . 0.0 112.61 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.2 t -111.06 -62.51 1.53 Allowed 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.084 3.354 . . . . 0.0 109.108 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.7 48.45 0.01 OUTLIER Glycine 0 C--N 1.377 2.826 0 N-CA-C 117.149 1.62 . . . . 0.0 117.149 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.19 -86.32 0.65 Allowed 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.725 1.61 . . . . 0.0 111.709 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.786 0 C-N-CA 126.634 1.974 . . . . 0.0 112.141 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.12 -45.57 2.84 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.42 3.088 . . . . 0.0 109.858 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -50.21 65.35 Favored 'General case' 0 C--N 1.368 1.375 1 C-N-CA 133.455 4.702 . . . . 0.0 115.446 175.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -8.46 0.79 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 128.384 2.674 . . . . 0.0 118.158 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.4 pt? -125.36 -38.46 2.28 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 129.667 3.187 . . . . 0.0 112.1 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -38.47 91.13 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 128.22 2.608 . . . . 0.0 115.227 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.64 31.02 3.66 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 129.134 2.973 . . . . 0.0 112.276 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 54.5 m -135.91 -62.25 0.69 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 131.104 3.762 . . . . 0.0 108.827 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 152.05 67.38 0.01 OUTLIER Glycine 0 C--N 1.38 2.986 0 C-N-CA 125.333 1.444 . . . . 0.0 116.057 173.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.48 -83.8 0.4 Allowed 'General case' 0 C--N 1.372 1.563 0 C-N-CA 125.622 1.569 . . . . 0.0 112.308 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.825 0 C-N-CA 127.051 2.14 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.721 2.008 . . . . 0.0 109.312 170.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -52.37 2.15 Favored 'General case' 0 C--N 1.363 1.194 1 C-N-CA 132.836 4.454 . . . . 0.0 117.121 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -56.59 -21.55 27.57 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.828 2.851 . . . . 0.0 118.223 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 2.1 pt? -124.27 -38.41 2.44 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.485 2.714 . . . . 0.0 113.861 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -34.91 78.86 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 129.617 3.167 . . . . 0.0 114.961 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -96.52 7.07 47.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 127.184 2.194 . . . . 0.0 113.69 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 10.0 t -103.13 -61.15 1.44 Allowed 'General case' 0 C--N 1.374 1.65 0 C-N-CA 129.395 3.078 . . . . 0.0 109.783 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 148.65 51.62 0.02 OUTLIER Glycine 0 C--N 1.376 2.756 0 C-N-CA 126.031 1.777 . . . . 0.0 116.757 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 2.5 tt -118.55 -81.33 0.63 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.371 1.868 . . . . 0.0 112.61 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.809 0 C-N-CA 126.98 2.112 . . . . 0.0 111.354 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 119.821 -0.133 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.08 -48.09 2.55 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.826 2.85 . . . . 0.0 109.672 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -49.5 62.44 Favored 'General case' 0 C--N 1.365 1.25 1 C-N-CA 133.19 4.596 . . . . 0.0 116.221 174.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -9.42 0.83 Allowed 'General case' 0 C--N 1.378 1.837 0 C-N-CA 128.969 2.907 . . . . 0.0 118.689 174.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.3 1.6 pt? -127.19 -37.92 2.02 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 129.637 3.175 . . . . 0.0 112.236 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -37.81 87.99 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.279 2.632 . . . . 0.0 114.884 171.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -103.27 34.93 2.72 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.685 2.394 . . . . 0.0 111.717 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 49.8 m -138.68 -63.86 0.53 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 131.402 3.881 . . . . 0.0 108.672 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 151.58 68.68 0.01 OUTLIER Glycine 0 C--N 1.379 2.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.744 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.94 -82.67 0.29 Allowed 'General case' 0 C--N 1.368 1.405 0 C-N-CA 125.683 1.593 . . . . 0.0 111.646 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.902 0 C-N-CA 126.661 1.984 . . . . 0.0 113.0 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -116.83 -46.27 2.75 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.456 3.103 . . . . 0.0 110.366 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -50.57 66.65 Favored 'General case' 0 C--N 1.369 1.423 1 C-N-CA 133.21 4.604 . . . . 0.0 115.091 176.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -11.28 0.55 Allowed 'General case' 0 C--N 1.378 1.841 0 C-N-CA 129.361 3.065 . . . . 0.0 118.25 174.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.6 pt? -124.3 -40.56 2.24 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 130.098 3.359 . . . . 0.0 112.319 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -61.83 -38.35 87.86 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 128.41 2.684 . . . . 0.0 115.91 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.16 -0.12 55.43 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.132 2.973 . . . . 0.0 113.715 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 97.6 m -102.7 -56.65 2.2 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 130.321 3.449 . . . . 0.0 110.897 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.62 65.96 0.01 OUTLIER Glycine 0 C--N 1.38 2.998 0 C-N-CA 126.189 1.852 . . . . 0.0 116.765 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -134.96 -82.62 0.43 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.714 1.606 . . . . 0.0 112.806 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 2.008 0 C-N-CA 126.823 2.049 . . . . 0.0 112.479 -175.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.501 2.107 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -114.12 -60.04 1.94 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.645 2.778 . . . . 0.0 108.357 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -54.1 6.79 Favored 'General case' 0 C--N 1.364 1.221 1 C-N-CA 133.964 4.906 . . . . 0.0 116.887 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -53.81 -20.43 5.75 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.9 pt? -121.4 -34.01 3.54 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.924 2.89 . . . . 0.0 113.609 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.27 -52.12 66.08 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 129.218 3.007 . . . . 0.0 113.001 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -79.76 2.14 24.03 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.749 2.419 . . . . 0.0 115.061 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 14.9 t -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 130.37 3.468 . . . . 0.0 109.867 167.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 135.6 38.68 0.17 Allowed Glycine 0 C--N 1.376 2.776 0 C-N-CA 126.852 2.168 . . . . 0.0 117.392 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.2 -63.61 1.12 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.63 1.972 . . . . 0.0 114.024 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 -177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -112.92 -53.8 2.68 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 128.627 2.771 . . . . 0.0 109.154 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -50.32 30.26 Favored 'General case' 0 C--N 1.365 1.272 1 C-N-CA 133.401 4.68 . . . . 0.0 116.306 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -57.87 -8.92 1.09 Allowed 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 129.289 3.036 . . . . 0.0 118.102 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.282 1.8 pt? -131.42 -44.49 1.01 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.462 3.105 . . . . 0.0 112.415 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -37.08 86.03 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 128.307 2.643 . . . . 0.0 115.615 175.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.41 11.26 39.62 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 128.069 2.547 . . . . 0.0 113.071 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 90.2 m -113.18 -61.0 1.8 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 130.477 3.511 . . . . 0.0 109.928 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.53 67.1 0.01 OUTLIER Glycine 0 C--N 1.375 2.738 0 C-N-CA 125.565 1.555 . . . . 0.0 116.779 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.26 12.4 tp -140.14 -88.36 0.19 Allowed 'General case' 0 C--N 1.37 1.498 0 C-N-CA 125.581 1.552 . . . . 0.0 112.779 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.875 0 C-N-CA 126.224 1.81 . . . . 0.0 112.208 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 21.8 mm . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 119.453 -0.308 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -115.26 -56.04 2.4 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.871 2.468 . . . . 0.0 109.524 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -47.57 5.03 Favored 'General case' 0 C--N 1.366 1.321 1 C-N-CA 132.763 4.425 . . . . 0.0 116.738 176.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.15 -11.36 5.95 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 128.668 2.787 . . . . 0.0 118.4 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.314 1.9 pt? -132.25 -44.36 0.93 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 127.685 2.394 . . . . 0.0 113.401 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -38.57 91.53 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 130.112 3.365 . . . . 0.0 114.825 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.77 9.61 42.18 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 128.116 2.566 . . . . 0.0 113.099 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 91.4 m -111.56 -58.64 2.09 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 129.882 3.273 . . . . 0.0 110.556 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 156.57 58.25 0.01 OUTLIER Glycine 0 C--N 1.384 3.218 0 N-CA-C 117.173 1.629 . . . . 0.0 117.173 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.266 19.8 tp -137.88 -93.42 0.21 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 126.086 1.755 . . . . 0.0 112.06 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.377 1.785 0 C-N-CA 126.655 1.982 . . . . 0.0 111.903 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -113.38 -55.95 2.46 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 129.029 2.931 . . . . 0.0 109.392 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -53.54 7.46 Favored 'General case' 0 CA--C 1.558 1.256 1 C-N-CA 133.21 4.604 . . . . 0.0 117.089 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -54.7 -21.19 10.04 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.818 2.847 . . . . 0.0 117.97 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.8 pt? -118.39 -35.67 3.72 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.888 2.875 . . . . 0.0 113.799 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -48.73 73.26 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 129.375 3.07 . . . . 0.0 113.31 172.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.87 10.41 9.73 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 127.703 2.401 . . . . 0.0 114.282 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.9 t -107.46 -61.64 1.53 Allowed 'General case' 0 C--N 1.374 1.671 0 C-N-CA 130.554 3.542 . . . . 0.0 109.407 171.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.34 56.13 0.03 OUTLIER Glycine 0 C--N 1.376 2.789 0 C-N-CA 126.269 1.89 . . . . 0.0 115.924 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.0 tt -118.94 -74.24 0.61 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.286 1.835 . . . . 0.0 112.812 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.267 1.986 0 C-N-CA 125.984 1.714 . . . . 0.0 113.096 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -113.07 -57.73 2.25 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 127.519 2.327 . . . . 0.0 109.137 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -49.7 2.71 Favored 'General case' 0 CA--C 1.563 1.448 1 C-N-CA 132.625 4.37 . . . . 0.0 117.105 176.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.22 -11.27 3.7 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 129.097 2.959 . . . . 0.0 117.993 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.321 2.0 pt? -132.56 -43.46 0.92 Allowed 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.373 2.669 . . . . 0.0 113.211 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.16 -36.72 84.55 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 130.33 3.452 . . . . 0.0 115.497 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.75 13.31 34.74 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 128.03 2.532 . . . . 0.0 112.908 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 94.3 m -116.95 -58.16 2.1 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 130.315 3.446 . . . . 0.0 110.328 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.03 62.34 0.01 OUTLIER Glycine 0 C--N 1.376 2.754 0 C-N-CA 125.59 1.567 . . . . 0.0 116.645 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.26 -88.56 0.24 Allowed 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.721 1.608 . . . . 0.0 111.433 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.896 0 C-N-CA 126.582 1.953 . . . . 0.0 111.769 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.171 0.034 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -115.47 -52.77 2.64 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.021 2.928 . . . . 0.0 109.038 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -50.46 29.48 Favored 'General case' 0 CA--C 1.561 1.379 1 C-N-CA 132.797 4.439 . . . . 0.0 115.983 177.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.92 -9.11 1.18 Allowed 'General case' 0 C--N 1.375 1.7 0 C-N-CA 129.009 2.924 . . . . 0.0 118.381 174.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.292 1.9 pt? -131.06 -42.74 1.08 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.489 3.116 . . . . 0.0 112.14 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.15 -35.55 81.44 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 128.762 2.825 . . . . 0.0 115.324 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.62 18.0 20.38 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 127.972 2.509 . . . . 0.0 113.021 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.91 -61.77 1.41 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 130.367 3.467 . . . . 0.0 109.834 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.67 68.47 0.01 OUTLIER Glycine 0 C--N 1.378 2.881 0 C-N-CA 125.304 1.431 . . . . 0.0 115.98 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.7 tt -138.67 -85.31 0.26 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.756 1.622 . . . . 0.0 112.037 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.799 0 C-N-CA 126.527 1.931 . . . . 0.0 111.885 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -115.15 -55.85 2.43 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.998 2.519 . . . . 0.0 109.031 176.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -48.85 3.71 Favored 'General case' 0 CA--C 1.56 1.357 1 C-N-CA 132.524 4.33 . . . . 0.0 116.74 176.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -60.47 -9.23 3.41 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.965 2.906 . . . . 0.0 118.163 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.312 1.9 pt? -134.35 -43.35 0.78 Allowed 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.986 2.514 . . . . 0.0 113.536 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.66 88.24 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.05 3.34 . . . . 0.0 115.372 175.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.82 4.23 45.15 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 128.378 2.671 . . . . 0.0 113.688 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 84.3 m -107.2 -57.48 2.07 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 129.798 3.239 . . . . 0.0 110.651 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.59 60.67 0.01 OUTLIER Glycine 0 C--N 1.379 2.942 0 N-CA-C 117.806 1.882 . . . . 0.0 117.806 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 17.9 tp -139.18 -90.63 0.19 Allowed 'General case' 0 C--N 1.37 1.493 0 C-N-CA 125.952 1.701 . . . . 0.0 111.565 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.815 0 C-N-CA 126.442 1.897 . . . . 0.0 111.706 -177.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -114.97 -56.53 2.37 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.504 2.722 . . . . 0.0 108.503 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -51.96 7.16 Favored 'General case' 0 C--N 1.369 1.452 1 C-N-CA 133.174 4.59 . . . . 0.0 116.586 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.09 -20.1 9.01 Favored 'General case' 0 C--N 1.375 1.711 0 C-N-CA 129.134 2.974 . . . . 0.0 118.247 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.311 2.0 pt? -121.04 -36.66 3.09 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.249 2.62 . . . . 0.0 113.825 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -42.73 99.1 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 128.773 2.829 . . . . 0.0 113.555 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.07 2.21 55.48 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 128.613 2.765 . . . . 0.0 114.036 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.64 -58.28 1.91 Allowed 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.252 3.021 . . . . 0.0 110.699 171.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.02 55.06 0.03 OUTLIER Glycine 0 C--N 1.375 2.7 0 C-N-CA 126.432 1.968 . . . . 0.0 116.111 175.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.14 -77.52 0.59 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.272 1.829 . . . . 0.0 112.47 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.884 0 C-N-CA 126.239 1.816 . . . . 0.0 112.177 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -116.06 -44.62 2.9 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 129.611 3.164 . . . . 0.0 110.517 -177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -50.1 69.63 Favored 'General case' 0 C--N 1.369 1.446 1 C-N-CA 133.199 4.6 . . . . 0.0 115.423 175.465 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -5.5 0.32 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 128.751 2.82 . . . . 0.0 118.502 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.279 1.5 pt? -129.39 -39.52 1.49 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.988 3.315 . . . . 0.0 111.838 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.5 91.32 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.633 2.773 . . . . 0.0 115.159 171.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.21 31.71 3.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 128.416 2.686 . . . . 0.0 111.903 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 57.7 m -137.32 -64.54 0.56 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 130.902 3.681 . . . . 0.0 108.209 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.69 65.99 0.01 OUTLIER Glycine 0 C--N 1.374 2.662 0 C-N-CA 125.277 1.418 . . . . 0.0 116.446 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 15.3 tp -138.13 -84.05 0.3 Allowed 'General case' 0 C--N 1.367 1.36 0 CA-C-N 118.804 1.302 . . . . 0.0 112.167 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.266 1.944 0 C-N-CA 126.049 1.74 . . . . 0.0 112.932 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.504 2.254 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -115.36 -58.67 2.1 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 129.061 2.944 . . . . 0.0 108.651 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.73 -53.34 9.6 Favored 'General case' 0 C--N 1.362 1.123 1 C-N-CA 133.524 4.729 . . . . 0.0 116.482 178.113 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -53.9 -18.47 3.42 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.789 2.835 . . . . 0.0 118.624 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.295 1.9 pt? -122.62 -35.98 2.99 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.876 2.87 . . . . 0.0 113.013 177.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.38 95.39 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 129.13 2.972 . . . . 0.0 113.769 171.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -92.26 10.09 31.12 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 128.036 2.534 . . . . 0.0 113.881 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.08 -61.4 1.55 Allowed 'General case' 0 C--N 1.374 1.673 0 C-N-CA 130.177 3.391 . . . . 0.0 109.35 171.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 145.8 52.08 0.03 OUTLIER Glycine 0 C--N 1.379 2.929 0 C-N-CA 126.54 2.019 . . . . 0.0 115.934 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -118.08 -77.35 0.57 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 126.243 1.817 . . . . 0.0 113.557 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.777 0 C-N-CA 126.036 1.735 . . . . 0.0 112.521 -175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -115.49 -51.74 2.68 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.071 2.948 . . . . 0.0 109.604 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -49.76 35.13 Favored 'General case' 0 C--N 1.364 1.228 1 C-N-CA 133.323 4.649 . . . . 0.0 116.232 176.048 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -58.1 -7.17 0.73 Allowed 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 129.063 2.945 . . . . 0.0 118.433 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.29 1.8 pt? -132.78 -43.48 0.9 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.038 2.935 . . . . 0.0 113.012 176.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -37.12 86.33 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.628 2.771 . . . . 0.0 115.848 174.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.34 13.28 33.71 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 128.174 2.589 . . . . 0.0 113.049 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 93.1 m -115.94 -61.42 1.74 Allowed 'General case' 0 C--N 1.37 1.457 0 C-N-CA 130.113 3.365 . . . . 0.0 109.924 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.63 65.84 0.01 OUTLIER Glycine 0 C--N 1.377 2.85 0 C-N-CA 125.053 1.311 . . . . 0.0 116.263 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . 0.264 14.7 tp -139.44 -88.58 0.2 Allowed 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.74 1.616 . . . . 0.0 112.451 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.918 0 C-N-CA 126.321 1.848 . . . . 0.0 111.811 -175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -114.87 -52.44 2.7 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 129.077 2.951 . . . . 0.0 109.47 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -50.38 36.6 Favored 'General case' 0 C--N 1.368 1.406 1 C-N-CA 133.149 4.579 . . . . 0.0 115.584 176.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -57.52 -8.17 0.78 Allowed 'General case' 0 C--N 1.377 1.801 0 C-N-CA 128.581 2.752 . . . . 0.0 118.419 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.299 2.0 pt? -131.95 -40.17 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.34 3.056 . . . . 0.0 113.123 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.28 82.1 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 128.325 2.65 . . . . 0.0 114.823 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.69 17.22 22.49 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 128.097 2.559 . . . . 0.0 112.565 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 63.3 m -120.92 -61.46 1.55 Allowed 'General case' 0 C--N 1.372 1.553 0 C-N-CA 129.808 3.243 . . . . 0.0 109.511 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 153.93 57.77 0.01 OUTLIER Glycine 0 C--N 1.379 2.945 0 N-CA-C 117.904 1.922 . . . . 0.0 117.904 174.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.37 -82.83 0.54 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.059 1.744 . . . . 0.0 112.144 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.796 0 C-N-CA 125.912 1.685 . . . . 0.0 112.465 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.503 2.224 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -113.34 -54.57 2.6 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.976 2.911 . . . . 0.0 109.672 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -53.61 11.98 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.343 4.657 . . . . 0.0 116.507 177.172 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -53.21 -20.41 4.02 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 118.499 2.777 . . . . 0.0 118.499 175.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.266 1.9 pt? -118.8 -34.69 3.87 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.397 2.679 . . . . 0.0 113.946 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -48.64 75.45 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 129.171 2.988 . . . . 0.0 113.694 172.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.34 1.05 38.89 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 128.019 2.528 . . . . 0.0 114.514 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.6 t -98.73 -58.22 2.0 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 129.433 3.093 . . . . 0.0 110.487 169.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 143.09 46.95 0.05 OUTLIER Glycine 0 C--N 1.373 2.609 0 N-CA-C 117.846 1.899 . . . . 0.0 117.846 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.55 -72.19 0.72 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.833 1.653 . . . . 0.0 113.157 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.771 0 C-N-CA 125.563 1.545 . . . . 0.0 112.578 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -113.3 -49.2 2.92 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 128.394 2.678 . . . . 0.0 109.66 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -52.58 54.67 Favored 'General case' 0 C--N 1.373 1.623 1 C-N-CA 133.701 4.8 . . . . 0.0 115.713 178.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -52.57 -24.46 8.27 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.922 2.889 . . . . 0.0 118.099 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.276 1.7 pt? -110.21 -33.62 6.6 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.649 2.78 . . . . 0.0 113.758 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -37.46 86.76 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 128.983 2.913 . . . . 0.0 114.864 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.5 8.43 43.31 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 129.081 2.952 . . . . 0.0 113.847 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.3 t -104.39 -59.15 1.78 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 130.048 3.339 . . . . 0.0 109.734 168.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.98 47.79 0.04 OUTLIER Glycine 0 C--N 1.379 2.933 0 C-N-CA 126.333 1.921 . . . . 0.0 116.454 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 84.8 mt -111.91 -70.17 0.83 Allowed 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.941 1.696 . . . . 0.0 114.452 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.943 0 CA-C-N 120.142 1.337 . . . . 0.0 114.238 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 29.5 mm . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 119.738 -0.172 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -113.61 -55.44 2.51 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 129.192 2.997 . . . . 0.0 108.789 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -52.44 13.94 Favored 'General case' 0 C--N 1.364 1.214 1 C-N-CA 133.233 4.613 . . . . 0.0 116.38 176.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -53.13 -20.51 3.87 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.288 1.7 pt? -118.5 -39.37 3.02 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 129.003 2.921 . . . . 0.0 112.819 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.07 86.27 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.662 2.785 . . . . 0.0 115.178 173.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.85 9.1 42.8 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 128.558 2.743 . . . . 0.0 113.28 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 12.6 t -105.2 -61.04 1.53 Allowed 'General case' 0 C--N 1.37 1.48 0 C-N-CA 130.605 3.562 . . . . 0.0 109.29 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 146.7 55.57 0.02 OUTLIER Glycine 0 C--N 1.382 3.126 0 C-N-CA 125.891 1.71 . . . . 0.0 115.523 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.86 -82.57 0.65 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.76 2.024 . . . . 0.0 112.301 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.265 1.886 0 C-N-CA 126.385 1.874 . . . . 0.0 112.044 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -110.87 -59.7 1.93 Allowed 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.68 2.392 . . . . 0.0 109.043 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -51.8 1.87 Allowed 'General case' 0 C--N 1.363 1.174 1 C-N-CA 133.307 4.643 . . . . 0.0 117.026 178.025 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.01 -21.38 21.08 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 128.638 2.775 . . . . 0.0 118.034 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . 0.296 1.6 pt? -121.55 -39.96 2.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 127.88 2.472 . . . . 0.0 113.443 177.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -37.21 86.5 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 130.078 3.351 . . . . 0.0 114.764 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.78 15.2 29.14 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 128.052 2.541 . . . . 0.0 112.61 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' CYS . . . . . . . . . . . . . 11.2 t -111.06 -62.51 1.53 Allowed 'General case' 0 C--N 1.374 1.632 0 C-N-CA 130.084 3.354 . . . . 0.0 109.108 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 154.7 48.45 0.01 OUTLIER Glycine 0 C--N 1.377 2.826 0 N-CA-C 117.149 1.62 . . . . 0.0 117.149 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.19 -86.32 0.65 Allowed 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.725 1.61 . . . . 0.0 111.709 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.263 1.786 0 C-N-CA 126.634 1.974 . . . . 0.0 112.141 -175.574 . . . . . . . . 1 1 . 1 stop_ save_