data_2n4v_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 2n4v _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.435 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.07 0.462 . . . . 15.0 110.69 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.421 ' CH2' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 -99.07 150.08 22.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.158 0.504 . . . . 15.0 110.754 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 5.2 m -124.22 110.8 15.1 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.57 -0.9 . . . . 15.0 108.57 173.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 2.9 pt-20 -89.98 150.38 22.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.762 0.791 . . . . 15.0 110.616 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -134.99 150.35 50.33 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 105.435 -2.061 . . . . 15.0 105.435 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -122.55 140.14 53.12 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 117.568 -1.653 . . . . 15.0 112.325 -175.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.602 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 56.3 p -89.73 150.33 22.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.878 -1.056 . . . . 15.0 109.298 171.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.74 -29.97 55.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -172.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -78.16 3.41 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 58.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.672 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.602 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 64.3 mttm -141.51 124.06 15.89 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-O 119.577 -0.249 . . . . 15.0 111.372 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.01 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.59 150.05 21.09 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.567 -1.253 . . . . 15.0 109.397 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.425 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.2 p90 -137.53 125.09 22.15 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 171.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 84.8 m-85 -89.85 122.47 32.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.173 -173.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 2.6 t80 -101.85 119.79 39.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.428 -0.805 . . . . 15.0 109.86 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.421 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 26.8 t-20 -89.9 118.81 29.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.752 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -74.76 -5.04 41.13 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.611 0.597 . . . . 15.0 112.611 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.435 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 14.5 mtm180 -80.41 -44.75 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.768 -0.373 . . . . 15.0 110.433 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.494 HG21 ' HB2' ' A' ' 454' ' ' GLU . 3.2 t -122.15 7.61 9.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.56 0.695 . . . . 15.0 109.937 -175.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 39.8 mt 64.21 20.32 12.13 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.054 -0.976 . . . . 15.0 110.882 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.494 ' HB2' HG21 ' A' ' 452' ' ' THR . 33.0 mt-10 -93.2 123.57 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 15.0 112.002 -171.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 11.4 p -102.78 122.63 44.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.047 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -137.6 142.13 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 15.0 110.111 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.7 m95 -74.61 -25.42 59.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.196 0.522 . . . . 15.0 110.677 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -84.91 131.13 34.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.078 -172.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.581 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 6.7 mtpm? -60.96 117.34 24.69 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.033 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.91 159.07 39.77 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.559 2.839 . . . . 15.0 112.542 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.46 -29.15 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 15.0 111.184 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.8 -12.37 60.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 15.0 111.196 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.9 tp -129.31 17.96 5.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.474 0.654 . . . . 15.0 110.208 -175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.452 -0.785 . . . . 15.0 109.764 -179.055 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 121.548 0.69 . . . . 15.0 110.2 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.444 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.1 m95 -110.84 150.18 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.394 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.3 m -126.51 123.85 38.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.257 173.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -98.8 150.78 21.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.994 0.902 . . . . 15.0 112.385 -176.288 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -137.5 150.62 47.69 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.883 -1.895 . . . . 15.0 105.883 -167.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.012 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -118.12 141.68 48.23 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 117.71 -1.596 . . . . 15.0 112.857 -175.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 37.8 p -90.31 150.3 21.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.968 -1.014 . . . . 15.0 109.962 170.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.66 -29.88 53.8 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.34 3.2 18.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 64.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.425 -0.893 . . . . 15.0 112.714 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.58 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 48.6 mttp -149.3 123.62 9.6 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 119.531 -0.271 . . . . 15.0 111.619 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.012 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.9 t -92.8 140.52 29.43 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.032 -1.467 . . . . 15.0 108.753 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.553 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.1 p90 -126.81 127.61 45.28 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 57.4 m-85 -89.67 125.33 35.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.375 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' A' ' 436' ' ' THR . 4.0 t80 -106.35 121.96 45.28 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.991 -176.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.446 ' OD1' HG21 ' A' ' 452' ' ' THR . 27.0 t-20 -91.35 131.41 36.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.217 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.406 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 44.5 m-80 -84.53 -23.78 29.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 15.0 111.508 -174.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 451' ' ' ARG . 10.1 ttp180 -75.74 -36.47 59.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.722 -0.672 . . . . 15.0 112.389 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.446 HG21 ' OD1' ' A' ' 449' ' ' ASN . 9.3 t -126.79 10.8 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.768 0.318 . . . . 15.0 110.547 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.9 mt 59.32 30.49 20.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.719 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.401 ' CB ' HG23 ' A' ' 452' ' ' THR . 40.9 tt0 -95.96 111.73 23.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.57 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.9 p -102.55 120.79 41.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.779 0.324 . . . . 15.0 110.541 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.94 150.03 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.379 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.553 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.2 m95 -84.57 -11.81 55.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.383 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -97.89 155.12 17.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.954 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 65.3 mttt -76.05 124.88 88.52 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.084 0.469 . . . . 15.0 111.875 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -85.42 -174.15 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.21 2.607 . . . . 15.0 111.793 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -75.15 -17.89 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.292 0.568 . . . . 15.0 110.564 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.54 0.8 57.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 15.0 112.079 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 19.3 tp -154.41 23.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.014 0.435 . . . . 15.0 110.903 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.3 ttpm? . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.807 -0.633 . . . . 15.0 111.124 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.42 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 56.9 mt-10 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.918 0.389 . . . . 15.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 3.6 m95 -118.64 150.11 40.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.274 0.559 . . . . 15.0 110.518 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.5 m -132.1 119.16 20.58 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.369 -0.832 . . . . 15.0 109.052 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.62 150.3 22.44 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.444 0.64 . . . . 15.0 110.01 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -137.99 150.26 46.83 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 105.484 -2.043 . . . . 15.0 105.484 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.969 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -116.67 142.43 46.91 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 117.626 -1.629 . . . . 15.0 112.679 -176.364 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.549 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.0 p -89.87 150.28 22.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.532 -1.213 . . . . 15.0 109.623 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.84 60.25 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.656 0.382 . . . . 15.0 111.684 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -74.58 -1.5 21.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.452 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 53.57 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.829 -0.701 . . . . 15.0 113.359 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.549 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 59.2 mttp -136.24 129.85 32.19 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 111.64 0.237 . . . . 15.0 111.64 177.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.969 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.2 t -95.86 150.04 20.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.15 -1.42 . . . . 15.0 108.682 174.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.485 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 3.6 p90 -142.63 128.41 19.33 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.265 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.419 -174.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.536 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 10.9 t80 -96.85 118.78 34.03 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.018 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 4.7 t-20 -91.36 118.98 30.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.653 -0.249 . . . . 15.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -75.22 -7.0 52.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.102 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.484 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 44.6 ttp180 -83.05 -26.0 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.338 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.485 HG21 ' CB ' ' A' ' 454' ' ' GLU . 8.9 t -142.2 11.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.557 . . . . 15.0 110.02 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.0 mt 57.87 26.44 13.28 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.3 -0.864 . . . . 15.0 110.803 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.485 ' CB ' HG21 ' A' ' 452' ' ' THR . 31.4 tt0 -107.62 135.66 48.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.657 -172.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -115.03 124.37 51.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.239 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -128.73 138.19 51.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.9 0.381 . . . . 15.0 110.004 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.429 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.6 m95 -77.22 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 15.0 109.972 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.89 149.19 22.15 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.993 -1.003 . . . . 15.0 110.427 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.2 120.21 79.08 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.118 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.72 161.43 28.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.441 2.761 . . . . 15.0 112.846 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.37 -17.11 62.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.275 0.559 . . . . 15.0 110.761 -177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.87 -5.25 53.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.194 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 30.0 tp -131.48 4.98 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.843 -175.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.401 -0.809 . . . . 15.0 110.462 -177.227 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 66.4 mt-10 . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 121.183 0.516 . . . . 15.0 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.557 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.0 m95 -111.54 148.49 33.11 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.202 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 19.2 m -129.76 112.28 13.46 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.624 -0.88 . . . . 15.0 108.624 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -90.08 150.53 22.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.849 0.833 . . . . 15.0 111.204 -175.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -137.58 150.73 47.68 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 105.452 -2.055 . . . . 15.0 105.452 -167.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.01 143.64 47.95 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 117.723 -1.591 . . . . 15.0 112.387 -171.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.611 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 41.7 p -89.67 150.27 22.42 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.945 -1.025 . . . . 15.0 109.448 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.24 -30.06 48.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.686 0.625 . . . . 15.0 112.686 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -80.71 2.66 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.676 -0.238 . . . . 15.0 111.562 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 62.18 1.29 Allowed Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.989 -0.624 . . . . 15.0 113.384 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.611 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.9 mttt -146.18 128.38 15.72 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 111.69 0.256 . . . . 15.0 111.69 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.01 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.2 t -96.22 150.01 21.01 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.643 -1.223 . . . . 15.0 109.216 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.682 ' HD2' ' HG ' ' A' ' 455' ' ' SER . 1.6 p90 -138.17 126.9 23.68 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 109.236 -0.654 . . . . 15.0 109.236 172.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.71 118.05 29.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.733 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.4 t80 -96.51 120.57 37.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.383 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 21.8 t-20 -97.8 128.22 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 15.0 111.272 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -80.01 -2.13 42.76 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.838 0.681 . . . . 15.0 112.838 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.545 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 31.3 mtm-85 -86.91 -27.32 23.44 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.593 -0.443 . . . . 15.0 111.194 -178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.655 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.3 t -132.02 5.05 4.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.728 -0.471 . . . . 15.0 109.728 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 66.7 mt 59.69 24.57 13.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.228 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.655 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -108.27 137.5 46.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.795 -172.012 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.682 ' HG ' ' HD2' ' A' ' 446' ' ' TYR . 30.2 t -110.65 128.56 55.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.593 -177.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -126.6 138.2 53.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -75.75 -17.89 59.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 15.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -84.85 134.59 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.135 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.536 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.3 tttt -67.1 121.79 79.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.28 -173.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.679 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 53.0 Cg_endo -69.07 157.11 63.02 Favored 'Trans proline' 0 CA--C 1.521 -0.154 0 C-N-CA 123.108 2.539 . . . . 15.0 111.961 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.614 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 21.3 tt0 -84.0 -11.68 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.036 0.446 . . . . 15.0 110.688 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.02 -2.01 57.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 15.0 109.77 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.679 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -139.81 14.89 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.553 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.4 ttpt . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.426 -0.797 . . . . 15.0 110.452 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.774 0.321 . . . . 15.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -100.74 147.82 25.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.237 0.541 . . . . 15.0 110.739 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 m -125.34 116.87 22.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.817 -0.809 . . . . 15.0 108.817 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -89.79 150.27 22.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.889 0.852 . . . . 15.0 110.911 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.15 150.58 49.13 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 105.423 -2.065 . . . . 15.0 105.423 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.024 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -121.42 142.17 50.28 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.648 -1.621 . . . . 15.0 112.46 -175.278 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 47.7 p -89.73 150.37 22.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.88 -1.054 . . . . 15.0 109.656 172.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.56 -29.89 27.88 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.663 0.616 . . . . 15.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.82 0.46 26.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.708 0.289 . . . . 15.0 111.477 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 53.44 2.35 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.911 -0.661 . . . . 15.0 113.097 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.612 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.27 23.9 mttm -132.29 129.76 39.97 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 119.435 -0.317 . . . . 15.0 111.715 177.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.024 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.6 t -96.62 150.23 20.9 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 118.031 -1.467 . . . . 15.0 108.92 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.5 p90 -142.02 128.8 20.5 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.027 0.441 . . . . 15.0 109.93 173.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -89.86 121.71 32.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.378 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 0.2 OUTLIER -102.71 123.39 46.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 15.0 110.078 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 20.7 t-20 -89.95 118.56 29.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.782 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -72.5 -6.78 46.17 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.063 0.394 . . . . 15.0 112.063 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.567 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.2 ttp180 -82.84 -23.72 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 15.0 111.049 -175.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -147.69 9.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 15.0 111.104 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.9 mt 62.06 28.44 17.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.678 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.1 tp10 -95.2 118.23 31.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.513 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 39.2 t -107.54 126.66 52.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.635 0.255 . . . . 15.0 110.602 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -146.36 142.33 28.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 15.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 2.2 m95 -72.19 -30.87 65.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.427 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -76.31 126.52 31.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.406 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -51.24 118.33 10.52 Favored Pre-proline 0 C--O 1.234 0.241 0 O-C-N 123.841 0.713 . . . . 15.0 111.06 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.46 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 27.4 Cg_endo -62.6 144.37 94.21 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.1 2.533 . . . . 15.0 113.067 -175.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.58 -15.08 62.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.934 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -81.07 -8.96 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.197 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.46 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -144.06 23.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.404 -174.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.129 -0.938 . . . . 15.0 111.196 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 6.1 tp10 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.313 0.578 . . . . 15.0 110.463 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.541 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 23.5 m95 -113.67 149.73 34.24 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.276 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.0 m -132.74 121.24 22.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.223 -0.899 . . . . 15.0 108.833 171.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -89.76 150.52 22.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 15.0 111.633 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -136.32 150.51 48.91 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 105.78 -1.933 . . . . 15.0 105.78 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.004 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.6 141.86 49.92 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 117.631 -1.628 . . . . 15.0 112.62 -174.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.7 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.2 p -90.15 150.14 22.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.979 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.45 -30.26 39.7 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.036 0.754 . . . . 15.0 113.036 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.5 -1.57 31.12 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.93 0.344 . . . . 15.0 111.93 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 65.13 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.556 -0.83 . . . . 15.0 112.416 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.7 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 95.7 mttt -145.03 125.43 13.92 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 122.703 0.401 . . . . 15.0 111.209 177.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.004 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.8 t -94.57 150.06 20.62 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.005 -1.478 . . . . 15.0 108.812 174.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.504 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 3.1 p90 -142.54 132.03 23.73 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.723 -0.473 . . . . 15.0 109.723 173.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -89.79 122.19 32.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.173 -170.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.541 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 2.6 t80 -95.45 121.15 36.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.399 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 19.4 t-20 -98.39 121.42 40.31 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.401 -177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.92 -12.25 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.613 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.519 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.4 ttp180 -71.52 -26.85 62.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.266 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.495 HG21 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -146.4 11.69 1.16 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.967 0.413 . . . . 15.0 110.332 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 62.17 24.23 14.4 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.351 -0.841 . . . . 15.0 111.605 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.495 ' HB2' HG21 ' A' ' 452' ' ' THR . 58.9 mm-40 -101.42 131.16 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.225 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -117.29 124.56 49.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.524 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -142.34 150.34 40.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.472 . . . . 15.0 110.367 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.504 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.1 m95 -71.29 -7.5 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.967 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.9 136.08 33.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.609 0.242 . . . . 15.0 110.985 -172.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -61.85 117.4 28.39 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.246 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 143.97 28.3 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.472 2.781 . . . . 15.0 112.852 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -63.57 -29.01 70.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 15.0 109.955 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.64 -9.85 59.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.916 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.78 16.32 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 15.0 110.621 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.751 -0.642 . . . . 15.0 111.097 -175.493 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.404 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 23.4 tt0 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 121.62 0.724 . . . . 15.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.462 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -107.72 149.95 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.696 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.2 m -126.41 114.85 18.74 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.974 -0.75 . . . . 15.0 108.974 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -90.03 150.72 21.99 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.803 0.811 . . . . 15.0 110.873 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 74.5 m-85 -136.94 150.46 48.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 105.396 -2.075 . . . . 15.0 105.396 -171.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.981 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.22 138.18 53.78 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 117.644 -1.622 . . . . 15.0 112.245 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.59 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 69.1 p -89.76 150.05 22.45 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.785 174.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.16 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.67 0.619 . . . . 15.0 112.67 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.45 1.18 17.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.845 0.313 . . . . 15.0 111.845 -177.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 15.0 112.808 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.59 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.271 30.1 mmmt -139.61 129.98 25.46 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 119.166 -0.445 . . . . 15.0 111.537 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.981 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.0 t -96.9 150.09 21.14 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.282 -1.367 . . . . 15.0 108.365 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.681 ' HD2' ' HG ' ' A' ' 455' ' ' SER . 1.3 p90 -137.47 124.97 22.07 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 67.1 m-85 -89.89 116.17 27.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.296 -0.866 . . . . 15.0 109.463 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.7 t80 -97.96 117.65 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.757 -175.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 23.3 t-20 -90.05 115.65 27.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.268 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -75.33 -0.55 20.12 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.977 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.456 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 41.6 ttp-105 -90.04 -26.63 20.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.626 -0.261 . . . . 15.0 111.375 -175.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.677 HG22 ' HB2' ' A' ' 454' ' ' GLU . 7.7 t -137.24 11.19 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.11 0.481 . . . . 15.0 110.313 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 56.7 mt 63.46 20.12 12.07 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.032 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.677 ' HB2' HG22 ' A' ' 452' ' ' THR . 34.6 mm-40 -98.79 128.43 45.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.01 0.374 . . . . 15.0 112.01 -172.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.681 ' HG ' ' HD2' ' A' ' 446' ' ' TYR . 23.2 t -101.14 125.57 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 15.0 109.819 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -131.63 140.41 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.0 m95 -90.16 -8.99 49.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 15.0 110.673 -173.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.4 142.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.687 -173.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -64.03 115.31 18.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 15.0 112.296 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 92.1 Cg_endo -79.86 172.96 13.4 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.927 2.418 . . . . 15.0 111.139 174.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.62 -15.32 63.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.004 0.43 . . . . 15.0 111.532 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.2 8.3 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.379 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 20.3 tp -157.46 24.87 0.29 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.727 -0.389 . . . . 15.0 111.53 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.993 -1.003 . . . . 15.0 110.831 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.075 0.464 . . . . 15.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -89.73 146.44 24.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.522 0.677 . . . . 15.0 110.242 -175.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.512 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 4.1 m -119.14 105.57 11.52 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.129 -0.941 . . . . 15.0 109.161 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.83 150.51 22.21 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.622 0.725 . . . . 15.0 110.377 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -134.9 150.36 50.42 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.064 -2.199 . . . . 15.0 105.064 -170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.986 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.07 137.37 54.84 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 117.364 -1.735 . . . . 15.0 111.892 -177.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.769 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 74.7 p -89.78 150.23 22.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.756 -1.111 . . . . 15.0 110.146 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.93 -29.55 29.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.812 1.041 . . . . 15.0 113.812 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.92 5.37 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 15.0 111.497 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 53.95 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.923 -0.656 . . . . 15.0 112.13 176.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.769 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 23.5 mmtp -134.84 129.15 34.02 Favored 'General case' 0 CA--C 1.478 -1.816 0 N-CA-C 112.933 0.716 . . . . 15.0 112.933 -176.323 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.986 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 m -99.73 150.1 22.66 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.526 -0.869 . . . . 15.0 109.139 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.4 OUTLIER -143.53 123.99 13.95 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.471 -0.566 . . . . 15.0 109.471 167.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 71.4 m-85 -89.76 124.08 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.351 -0.841 . . . . 15.0 109.545 -173.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.3 t80 -104.24 124.28 48.85 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.607 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.77 118.75 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.951 -0.568 . . . . 15.0 109.835 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.0 -11.18 60.65 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -78.28 -26.03 46.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 15.0 111.652 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.3 t -140.73 6.62 2.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.446 0.641 . . . . 15.0 109.605 -176.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 63.35 21.02 12.59 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.165 -0.925 . . . . 15.0 110.898 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.525 ' HB2' HG23 ' A' ' 452' ' ' THR . 79.9 mm-40 -107.18 134.41 50.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.403 -173.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 448' ' ' TYR . 18.0 p -125.4 133.18 52.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.738 0.304 . . . . 15.0 111.621 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -135.41 149.97 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.627 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 1.7 m95 -81.86 -7.7 59.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.244 -0.434 . . . . 15.0 111.385 -174.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.04 111.89 24.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.031 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.697 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 14.6 ttmm -35.43 110.51 0.42 Allowed Pre-proline 0 N--CA 1.469 0.497 0 O-C-N 124.419 1.074 . . . . 15.0 112.822 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 35.1 Cg_endo -65.08 153.16 79.64 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.486 2.791 . . . . 15.0 112.644 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.44 -29.3 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.559 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -75.64 -7.88 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 15.0 111.278 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.7 tp -143.92 22.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 15.0 109.725 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.697 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 25.1 ttmm . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.206 -0.902 . . . . 15.0 110.373 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.883 0.373 . . . . 15.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 7.8 m95 -110.51 150.18 29.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.262 0.554 . . . . 15.0 111.728 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 27.4 m -133.85 118.06 17.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.29 -0.868 . . . . 15.0 108.939 173.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.3 OUTLIER -89.89 150.66 22.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.004 0.907 . . . . 15.0 111.51 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -134.31 150.36 50.96 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 105.101 -2.185 . . . . 15.0 105.101 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.018 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.41 145.27 48.44 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.647 -1.621 . . . . 15.0 112.401 -175.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 59.0 p -89.91 150.15 22.31 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.544 -1.207 . . . . 15.0 109.023 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.41 -29.52 35.42 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.181 0.437 . . . . 15.0 112.181 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.38 4.57 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.246 0.461 . . . . 15.0 112.246 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 40.76 5.8 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.88 -0.676 . . . . 15.0 113.808 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.539 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 52.8 mtpt -124.59 128.1 48.39 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.018 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 t -98.25 150.07 21.92 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.065 -1.054 . . . . 15.0 110.003 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.624 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -138.07 126.04 22.67 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.491 -0.559 . . . . 15.0 109.491 171.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -89.63 115.2 26.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.829 -0.623 . . . . 15.0 109.525 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.1 t80 -94.86 121.21 36.22 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.529 -0.76 . . . . 15.0 110.182 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.405 ' OD1' HG21 ' A' ' 452' ' ' THR . 24.3 t-20 -89.92 115.44 27.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.838 0.351 . . . . 15.0 110.331 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -74.67 -3.26 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.488 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -88.32 -22.3 23.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.586 -0.279 . . . . 15.0 111.23 -175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.0 t -138.86 8.76 2.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.514 0.673 . . . . 15.0 109.386 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.7 mt 64.32 20.11 12.04 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.654 -1.157 . . . . 15.0 110.956 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.546 ' HB2' HG23 ' A' ' 452' ' ' THR . 45.7 mt-10 -110.62 129.31 55.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 15.0 111.842 -174.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 3.0 p -109.52 131.78 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.58 . . . . 15.0 111.729 -177.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.69 142.85 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.624 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.4 m95 -69.92 -27.14 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.742 0.306 . . . . 15.0 111.584 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.39 144.72 27.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.229 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.4 112.64 10.71 Favored Pre-proline 0 C--O 1.234 0.255 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.111 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.4 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -71.99 150.65 55.11 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.017 2.478 . . . . 15.0 113.013 -173.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.14 -21.67 65.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.68 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.13 -2.38 37.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.813 -0.631 . . . . 15.0 110.182 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.4 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -147.89 29.84 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.444 -0.947 . . . . 15.0 108.444 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.41 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 9.7 ttpp . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.914 -1.039 . . . . 15.0 112.117 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 112.06 0.393 . . . . 15.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 10.8 m95 -113.67 150.11 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.279 0.562 . . . . 15.0 111.824 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.4 m -135.97 121.97 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.739 172.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 3.2 pt-20 -89.81 150.5 22.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.755 0.788 . . . . 15.0 111.076 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -138.34 150.35 46.51 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.317 -2.105 . . . . 15.0 105.317 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.029 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -121.66 140.23 52.55 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.84 -1.544 . . . . 15.0 112.954 -174.035 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.422 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 18.9 p -89.97 150.18 22.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.406 170.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.47 -29.83 37.76 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.944 0.72 . . . . 15.0 112.944 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.9 p-10 -73.18 -1.0 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 15.0 111.683 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 41.96 5.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.979 -0.629 . . . . 15.0 113.44 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.428 ' C ' ' CD ' ' A' ' 439' ' ' LYS . 5.9 mtmp? -123.5 131.26 53.59 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 111.39 0.144 . . . . 15.0 111.39 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.029 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.06 149.99 20.98 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.869 -1.133 . . . . 15.0 108.825 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.472 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -136.67 127.15 26.77 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 39.3 m-85 -89.78 116.43 27.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.417 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.501 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.5 t80 -93.12 118.63 31.44 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.088 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 452' ' ' THR . 22.0 t-20 -91.01 115.78 28.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.154 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -72.76 -5.59 38.95 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.86 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.407 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 43.6 ttp180 -89.0 -27.45 20.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.679 0.276 . . . . 15.0 111.498 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.916 HG21 ' HB2' ' A' ' 454' ' ' GLU . 9.4 t -135.63 9.56 3.38 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.063 0.459 . . . . 15.0 110.161 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.9 mt 64.04 20.84 12.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.359 -0.837 . . . . 15.0 111.072 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.916 ' HB2' HG21 ' A' ' 452' ' ' THR . 0.2 OUTLIER -97.37 123.03 41.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.462 -172.017 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 m -109.02 119.47 39.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.428 -0.351 . . . . 15.0 110.379 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -132.31 143.04 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.243 -0.28 . . . . 15.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.8 m95 -73.92 -18.26 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 15.0 110.874 -176.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -105.91 120.33 41.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.147 0.498 . . . . 15.0 111.098 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.881 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 16.6 ptpt -69.09 128.01 92.82 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.241 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.28 -171.52 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.008 2.472 . . . . 15.0 111.295 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -65.67 -12.61 55.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.117 0.484 . . . . 15.0 110.864 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.72 -18.77 61.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 15.0 111.897 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 17.7 tp -147.02 15.7 1.19 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 15.0 111.426 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.881 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 15.1 ttpp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.346 -0.835 . . . . 15.0 110.671 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.915 0.388 . . . . 15.0 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.529 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -112.07 144.6 41.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.522 0.677 . . . . 15.0 111.595 -171.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 6.3 m -126.49 109.89 12.67 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.6 -1.182 . . . . 15.0 108.018 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.03 150.71 21.98 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.671 0.748 . . . . 15.0 111.32 -176.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -137.23 150.29 47.76 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 103.91 -2.626 . . . . 15.0 103.91 -169.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.002 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.6 OUTLIER -111.89 148.08 34.44 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 116.914 -1.914 . . . . 15.0 111.298 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.42 150.01 22.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.53 -1.214 . . . . 15.0 108.947 169.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.06 -30.06 46.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD1' ' HD3' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -77.05 5.24 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.414 -179.137 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.62 64.13 1.78 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.903 -0.665 . . . . 15.0 112.897 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.548 ' HD3' ' OD1' ' A' ' 442' ' ' ASP . 22.8 mtpt -151.93 126.04 9.21 Favored 'General case' 0 CA--C 1.478 -1.818 0 C-N-CA 122.595 0.358 . . . . 15.0 111.022 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.002 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 m -90.03 147.88 23.4 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 108.482 -0.933 . . . . 15.0 108.482 -176.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.489 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.6 OUTLIER -137.24 126.06 24.05 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.267 0.556 . . . . 15.0 109.742 170.498 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.8 121.63 32.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.501 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.529 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.0 t80 -105.35 118.53 36.8 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.949 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.687 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 23.0 t-20 -89.92 121.0 31.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 15.0 110.288 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -78.88 -0.26 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.995 0.739 . . . . 15.0 112.995 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.687 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 11.8 ptt180 -102.82 -10.78 18.8 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.999 -0.68 . . . . 15.0 111.358 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 454' ' ' GLU . 9.2 t -140.89 6.16 1.99 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.241 -0.651 . . . . 15.0 109.241 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 40.2 mt 61.02 20.21 10.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.094 -0.957 . . . . 15.0 111.052 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.463 ' CB ' HG22 ' A' ' 452' ' ' THR . 30.9 tt0 -95.74 125.78 40.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 15.0 111.471 -170.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 m -111.26 134.54 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.89 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.08 144.49 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.116 -0.327 . . . . 15.0 110.116 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.489 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.3 m95 -78.02 -24.24 47.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.112 0.482 . . . . 15.0 110.891 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.89 139.24 30.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.204 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 459' ' ' LYS . 18.3 ptpt -65.37 123.86 85.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.219 0.533 . . . . 15.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.36 166.27 28.88 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.594 2.196 . . . . 15.0 111.493 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.72 -13.15 29.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.296 0.569 . . . . 15.0 110.648 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.73 -11.58 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.298 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.7 tp -127.16 19.74 6.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.785 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.584 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.846 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 5.6 tp10 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.009 0.433 . . . . 15.0 110.526 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.581 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 4.3 m95 -119.47 150.15 40.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.548 0.69 . . . . 15.0 110.943 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.4 m -136.26 124.72 23.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.961 -1.018 . . . . 15.0 108.667 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.93 150.25 22.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.538 0.685 . . . . 15.0 110.31 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -139.24 150.69 45.79 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.043 -2.206 . . . . 15.0 105.043 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.008 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.74 144.14 45.58 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 117.547 -1.661 . . . . 15.0 112.525 -174.552 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.676 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 38.7 p -89.83 150.18 22.35 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.629 -1.168 . . . . 15.0 109.138 170.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.86 30.28 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.185 0.809 . . . . 15.0 113.185 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.12 2.01 22.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.84 52.47 2.61 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.938 -0.648 . . . . 15.0 113.344 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.676 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 43.5 mttp -130.76 122.97 28.18 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 119.389 -0.339 . . . . 15.0 111.355 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.008 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.1 t -94.21 149.94 20.77 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 117.941 -1.504 . . . . 15.0 108.87 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.01 131.43 28.55 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.806 -0.442 . . . . 15.0 109.806 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -89.8 117.75 28.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.213 -0.662 . . . . 15.0 109.213 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.6 t80 -96.44 118.89 33.9 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.459 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -90.09 116.73 28.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.612 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.49 -11.18 60.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.965 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.846 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 31.6 mtm180 -78.78 -23.02 45.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -175.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.579 HG21 ' HB2' ' A' ' 454' ' ' GLU . 8.0 t -141.55 8.09 1.95 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.389 0.614 . . . . 15.0 109.801 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 45.0 mt 63.66 20.64 12.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.505 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 452' ' ' THR . 41.0 mt-10 -104.9 130.54 53.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.191 -175.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.0 t -120.23 124.3 45.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.598 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.72 150.32 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.105 0.479 . . . . 15.0 109.755 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.4 m95 -77.67 -2.7 37.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.216 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -95.56 132.07 41.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.518 -172.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -63.15 116.26 23.63 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.746 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.456 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 42.9 Cg_endo -68.01 166.08 26.01 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.925 2.417 . . . . 15.0 112.004 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.37 0.605 . . . . 15.0 110.621 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.88 -11.28 45.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -144.97 29.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.504 0.669 . . . . 15.0 109.889 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.081 -178.508 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.812 0.339 . . . . 15.0 111.609 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.45 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 8.5 m95 -89.67 148.19 23.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.616 -0.513 . . . . 15.0 109.616 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.0 m -121.21 111.37 17.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.789 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -89.83 150.58 22.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.66 0.743 . . . . 15.0 110.576 178.395 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 84.3 m-85 -135.38 150.25 49.87 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.309 -2.108 . . . . 15.0 105.309 -173.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.974 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.16 141.11 51.79 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 117.542 -1.663 . . . . 15.0 112.63 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.591 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.1 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.243 -1.344 . . . . 15.0 109.478 173.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.72 -29.85 29.16 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -174.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -82.11 3.33 27.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.913 0.338 . . . . 15.0 111.913 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 55.72 1.93 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.836 -0.697 . . . . 15.0 113.031 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.591 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.8 mtpp -135.22 126.12 27.54 Favored 'General case' 0 CA--C 1.483 -1.608 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.974 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 11.2 t -100.0 150.26 22.61 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.502 -1.279 . . . . 15.0 109.129 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.7 p90 -140.23 124.41 17.69 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.098 0.475 . . . . 15.0 110.077 172.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 47.2 m-85 -90.21 117.75 29.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.342 -0.845 . . . . 15.0 109.69 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.2 120.03 32.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.995 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.535 ' OD1' HG23 ' A' ' 452' ' ' THR . 4.0 t-20 -90.4 124.94 35.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.1 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -83.01 -12.29 57.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.705 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.406 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.1 ttp180 -69.63 -36.04 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.597 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.678 HG22 ' HB2' ' A' ' 454' ' ' GLU . 8.9 t -134.25 10.7 3.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.003 0.43 . . . . 15.0 110.153 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.4 mt 61.57 24.55 14.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.293 -0.867 . . . . 15.0 110.966 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG22 ' A' ' 452' ' ' THR . 23.3 mm-40 -105.53 130.59 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.897 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 p -99.75 127.37 45.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.684 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -137.46 140.24 41.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.773 0.32 . . . . 15.0 110.464 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.8 m95 -76.07 -16.33 59.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.326 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.444 ' HA ' ' OE1' ' A' ' 458' ' ' GLU . 5.3 mm-40 -105.67 168.4 9.12 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.342 0.591 . . . . 15.0 112.038 -171.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.646 ' N ' ' HD2' ' A' ' 459' ' ' LYS . 6.7 mptt -94.01 120.15 66.03 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 15.0 111.533 -167.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.569 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 91.4 Cg_endo -76.76 -173.3 1.69 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.924 2.416 . . . . 15.0 111.7 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -71.82 -25.07 61.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 15.0 111.404 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.569 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.8 pm0 -77.15 0.76 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 15.0 111.154 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 13.0 tp -137.38 12.24 3.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.978 0.418 . . . . 15.0 110.856 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 26.4 tptp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.414 -0.803 . . . . 15.0 110.028 -179.174 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.691 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 11.1 pt-20 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 15.0 110.473 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.636 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 9.5 m95 -107.86 150.12 27.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.1 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 16.6 m -123.72 119.82 30.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.041 173.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 3.9 pt-20 -90.1 150.4 22.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.903 0.859 . . . . 15.0 111.182 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -139.19 150.65 45.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 105.108 -2.182 . . . . 15.0 105.108 -170.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.031 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.5 144.8 44.7 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.514 -1.674 . . . . 15.0 112.628 -175.134 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 28.5 p -89.68 150.17 22.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.491 -1.231 . . . . 15.0 109.176 170.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.65 -30.12 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.14 0.422 . . . . 15.0 112.14 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -0.08 16.9 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 31.93 10.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.681 -0.771 . . . . 15.0 113.483 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HE3' ' CE3' ' A' ' 457' ' ' TRP . 29.0 mtpp -117.26 129.43 55.91 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 111.668 0.248 . . . . 15.0 111.668 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.031 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -91.42 149.89 21.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 118.432 -1.307 . . . . 15.0 108.81 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.704 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 2.3 p90 -137.16 130.43 31.09 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -89.94 122.11 32.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.832 . . . . 15.0 109.854 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 436' ' ' THR . 11.0 t80 -97.72 119.67 36.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.217 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 17.7 t-20 -92.11 124.0 35.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.056 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -80.92 -5.11 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.767 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.691 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 24.8 ttm180 -78.36 -40.85 35.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.868 0.366 . . . . 15.0 110.829 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.416 HG23 ' OD1' ' A' ' 449' ' ' ASN . 7.0 t -129.34 9.56 5.63 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.35 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 64.1 mt 62.51 27.49 16.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.525 -0.761 . . . . 15.0 110.692 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.28 127.31 46.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.427 -0.351 . . . . 15.0 110.93 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.4 p -104.37 112.26 25.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.585 -0.28 . . . . 15.0 110.933 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -125.5 133.05 52.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.704 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.9 m95 -64.39 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 15.0 111.204 -175.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.43 125.46 35.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.408 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 20.0 ptmt -63.68 140.08 97.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.402 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.636 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 86.2 Cg_endo -73.91 168.8 23.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.194 2.596 . . . . 15.0 112.02 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.74 -29.03 70.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.923 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.402 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 3.3 mp0 -64.6 -19.25 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 15.0 111.186 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -116.57 -1.33 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.18 0.514 . . . . 15.0 110.529 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.495 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 1.2 ttpm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.794 -0.622 . . . . 15.0 110.814 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.542 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 6.9 pt-20 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.065 0.459 . . . . 15.0 111.194 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.61 ' HB2' HD21 ' A' ' 463' ' ' LEU . 13.8 m95 -100.1 150.16 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.499 . . . . 15.0 110.143 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 10.5 m -128.89 121.33 27.91 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.869 -0.789 . . . . 15.0 108.869 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.79 150.33 22.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.731 0.776 . . . . 15.0 110.44 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.0 150.32 46.87 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.405 -2.072 . . . . 15.0 105.405 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.04 147.42 44.13 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.798 -1.561 . . . . 15.0 112.302 -173.643 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.3 p -89.69 150.34 22.38 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.566 -1.197 . . . . 15.0 109.099 173.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.12 -30.12 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.82 -0.64 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.762 0.282 . . . . 15.0 111.762 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 61.23 1.34 Allowed Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.811 -0.709 . . . . 15.0 113.239 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.543 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.259 54.3 mttp -136.77 127.89 27.89 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 122.397 0.279 . . . . 15.0 110.818 175.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.01 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -96.06 150.21 20.74 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 117.944 -1.502 . . . . 15.0 109.207 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.483 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 2.3 p90 -144.23 131.72 21.0 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.802 -0.444 . . . . 15.0 109.802 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 455' ' ' SER . 86.8 m-85 -89.91 124.61 34.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.714 . . . . 15.0 110.695 -172.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.0 t80 -104.5 120.01 40.29 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.568 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.579 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 4.2 t-20 -89.82 118.73 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.469 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -75.25 -10.32 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.579 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.2 ptt180 -93.25 -16.74 24.44 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 119.927 -0.709 . . . . 15.0 112.085 -174.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.58 HG21 ' HB2' ' A' ' 454' ' ' GLU . 15.3 t -143.29 9.7 1.66 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.37 -0.532 . . . . 15.0 110.745 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.0 mt 64.95 23.15 12.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.09 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.58 ' HB2' HG21 ' A' ' 452' ' ' THR . 38.8 tt0 -90.23 116.76 28.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.401 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.5 m -110.83 125.46 53.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.656 0.265 . . . . 15.0 111.15 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.23 146.19 33.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.718 -0.475 . . . . 15.0 109.718 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.2 m95 -73.49 -21.89 60.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.66 141.76 28.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.071 -174.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 459' ' ' LYS . 44.6 mtpt -65.96 118.21 49.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.958 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HG3' ' CH2' ' A' ' 435' ' ' TRP . 96.3 Cg_endo -78.34 168.27 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.586 2.191 . . . . 15.0 110.977 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.619 ' HG3' ' HD3' ' A' ' 464' ' ' LYS . 35.9 tt0 -73.63 -12.22 60.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.47 0.652 . . . . 15.0 109.515 178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.11 -0.26 27.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.148 -0.933 . . . . 15.0 110.962 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 435' ' ' TRP . 25.4 tp -152.3 21.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.358 . . . . 15.0 110.575 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.619 ' HD3' ' HG3' ' A' ' 461' ' ' GLN . 21.4 pttp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 119.053 -0.499 . . . . 15.0 111.172 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.591 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 42.2 mt-10 . . . . . 0 C--O 1.233 0.214 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.59 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 5.0 m95 -109.09 149.67 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.352 0.596 . . . . 15.0 111.219 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 27.5 m -136.97 118.08 14.41 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.438 -0.949 . . . . 15.0 108.438 171.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.03 150.59 22.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.691 0.758 . . . . 15.0 111.282 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -135.23 150.32 50.05 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.466 -2.049 . . . . 15.0 105.466 -167.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.018 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.76 139.01 52.97 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 117.057 -1.857 . . . . 15.0 112.13 -175.203 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.574 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.0 p -89.75 150.07 22.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.066 -0.97 . . . . 15.0 110.098 173.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.55 -29.95 28.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.174 0.805 . . . . 15.0 113.174 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.25 -1.58 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.824 0.305 . . . . 15.0 111.824 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 60.91 1.36 Allowed Glycine 0 C--N 1.329 0.15 0 C-N-CA 120.937 -0.649 . . . . 15.0 112.372 177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.574 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.2 mmmm -146.81 126.92 13.74 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 111.949 0.351 . . . . 15.0 111.949 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.018 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.3 t -96.23 150.15 20.86 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.7 -1.2 . . . . 15.0 109.51 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -138.58 128.91 25.86 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 171.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -89.79 119.55 30.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.448 -0.575 . . . . 15.0 109.448 -173.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.59 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 4.5 t80 -97.63 116.27 29.52 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.553 -0.749 . . . . 15.0 110.126 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.87 117.47 28.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.255 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.65 -1.28 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.596 0.236 . . . . 15.0 111.3 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.591 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 38.9 ttp180 -89.48 -16.87 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 15.0 111.178 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.423 HG23 ' CB ' ' A' ' 454' ' ' GLU . 9.8 t -145.39 10.07 1.25 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.191 0.519 . . . . 15.0 109.823 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 53.4 mt 59.01 24.38 12.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.123 -0.944 . . . . 15.0 110.988 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.423 ' CB ' HG23 ' A' ' 452' ' ' THR . 8.6 tp10 -99.4 138.21 36.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.191 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -113.06 119.62 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.47 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -129.82 144.49 51.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.251 -0.278 . . . . 15.0 110.251 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -85.98 -13.56 47.23 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.098 0.475 . . . . 15.0 110.77 -175.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.7 mt-10 -100.26 158.36 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.903 -173.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.06 108.79 28.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.219 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 69.7 Cg_endo -84.63 -179.74 3.94 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.171 2.58 . . . . 15.0 112.023 -177.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.9 -9.49 15.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.105 0.478 . . . . 15.0 111.27 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -93.88 -9.05 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.253 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 28.4 tp -157.72 29.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 15.0 110.645 -172.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.617 -0.706 . . . . 15.0 110.958 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.679 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 4.5 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.337 0.589 . . . . 15.0 110.535 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 11.5 m95 -96.57 150.39 20.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.69 -0.686 . . . . 15.0 110.615 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.7 m -120.44 101.45 7.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.493 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.91 150.5 22.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.887 0.851 . . . . 15.0 111.214 -176.472 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 77.8 m-85 -136.53 150.73 48.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 105.067 -2.198 . . . . 15.0 105.067 -169.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.015 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -119.06 139.7 51.3 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.341 -1.744 . . . . 15.0 112.477 -175.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.518 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.3 p -89.96 150.3 22.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.963 -1.017 . . . . 15.0 109.91 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.15 40.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.816 0.673 . . . . 15.0 112.816 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.45 ' CG ' ' HZ1' ' A' ' 444' ' ' LYS . 3.3 p-10 -73.22 -2.26 21.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.661 0.267 . . . . 15.0 111.655 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 55.9 1.92 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.987 -0.625 . . . . 15.0 112.625 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.518 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.263 31.4 mtmm -138.81 134.47 33.44 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 178.336 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.015 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 8.8 t -96.6 149.97 21.18 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 119.19 -1.004 . . . . 15.0 109.265 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.607 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -135.87 123.99 23.0 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.726 -0.842 . . . . 15.0 108.726 170.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 91.2 m-85 -89.68 119.43 30.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.186 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 4.6 t80 -92.79 119.43 32.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.886 -0.597 . . . . 15.0 109.432 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.452 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.6 t-20 -89.64 113.06 24.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.207 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -71.88 -6.72 43.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.733 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.679 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 40.2 ttp180 -79.28 -26.53 42.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.392 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.554 HG22 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -136.33 5.76 3.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.447 0.642 . . . . 15.0 109.766 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.1 mt 64.31 17.94 11.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.912 -1.04 . . . . 15.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.554 ' HB2' HG22 ' A' ' 452' ' ' THR . 50.0 mt-10 -110.7 130.97 55.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.663 -174.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 23.3 t -104.76 135.76 45.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.433 . . . . 15.0 110.483 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -137.36 146.04 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.811 -0.441 . . . . 15.0 109.811 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.6 m95 -79.01 -24.42 43.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.183 0.516 . . . . 15.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -87.44 123.39 32.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.836 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.23 116.83 46.25 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.582 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 96.8 Cg_endo -81.67 -175.67 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.799 2.333 . . . . 15.0 111.898 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -61.82 -14.51 33.82 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.69 -29.19 69.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 15.0 111.097 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.7 tp -128.72 5.33 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.566 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 27.0 mtpp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 15.0 110.805 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.652 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.625 0.726 . . . . 15.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 14.4 m95 -128.27 150.09 50.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.12 0.486 . . . . 15.0 111.0 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 28.3 m -132.12 114.26 14.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.82 -0.807 . . . . 15.0 108.82 171.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.416 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -90.15 150.76 21.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.97 0.891 . . . . 15.0 111.524 -177.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -137.46 150.49 47.63 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 105.717 -1.956 . . . . 15.0 105.717 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -120.15 139.07 53.16 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 117.54 -1.664 . . . . 15.0 112.421 -174.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.481 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.8 p -89.94 150.29 22.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.507 -1.224 . . . . 15.0 110.298 175.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.57 -29.91 18.94 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -78.04 -1.66 33.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 59.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.679 -0.772 . . . . 15.0 112.641 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.481 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 49.6 mtmt -144.84 132.76 21.31 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 122.432 0.293 . . . . 15.0 111.338 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 1.01 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 7.5 t -95.2 150.04 20.65 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 118.781 -1.168 . . . . 15.0 109.174 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.59 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -135.83 127.49 28.99 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 455' ' ' SER . 66.9 m-85 -89.65 116.8 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.527 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.545 ' HE1' ' OD1' ' A' ' 450' ' ' ASN . 4.8 t80 -92.98 120.14 32.97 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.258 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.652 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 3.8 t-20 -98.15 116.4 30.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.376 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.545 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 3.7 m-80 -69.1 -17.85 63.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.337 0.589 . . . . 15.0 110.46 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.461 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 38.2 ttp180 -69.6 -26.64 64.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.38 -0.827 . . . . 15.0 112.0 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 454' ' ' GLU . 5.6 t -140.8 6.77 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 15.0 110.15 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.7 mt 63.34 20.51 12.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.453 ' HB3' HG22 ' A' ' 452' ' ' THR . 40.0 tt0 -100.24 124.86 46.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.2 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 6.5 m -106.24 117.88 35.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.491 177.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -128.65 145.52 51.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.314 . . . . 15.0 110.402 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.6 m95 -81.57 -14.72 56.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.275 -0.421 . . . . 15.0 111.937 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -106.82 135.45 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.832 0.348 . . . . 15.0 111.055 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -57.79 127.03 78.12 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.681 -0.69 . . . . 15.0 112.468 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.445 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 60.4 Cg_endo -72.05 167.44 26.75 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.803 2.335 . . . . 15.0 111.391 172.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.94 -15.97 64.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.214 0.531 . . . . 15.0 110.554 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.61 -20.77 56.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.125 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -113.49 -9.02 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.915 -169.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 2.0 ttpm? . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.527 -0.749 . . . . 15.0 109.957 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 111.857 0.318 . . . . 15.0 111.857 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.473 ' HZ2' ' HG3' ' A' ' 462' ' ' GLU . 11.6 m95 -122.44 150.16 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.184 0.516 . . . . 15.0 111.442 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.8 m -128.9 112.8 14.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.168 -0.924 . . . . 15.0 108.916 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.7 pt-20 -90.01 150.18 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.4 0.619 . . . . 15.0 110.362 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 59.0 m-85 -135.85 150.4 49.37 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 105.356 -2.09 . . . . 15.0 105.356 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.984 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.8 OUTLIER -120.92 140.41 51.87 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 117.616 -1.633 . . . . 15.0 112.594 -176.292 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.713 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 40.5 p -90.1 150.27 22.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.206 168.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.05 21.03 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.319 0.859 . . . . 15.0 113.319 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.04 1.53 17.69 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.872 0.323 . . . . 15.0 111.872 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.54 4.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.671 -0.776 . . . . 15.0 112.644 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.713 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.8 mmtm -122.24 120.65 34.78 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 119.261 -0.399 . . . . 15.0 111.794 177.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.984 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.3 t -96.88 150.07 21.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 117.519 -1.672 . . . . 15.0 108.46 174.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 1.1 p90 -136.06 125.18 24.46 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.161 0.505 . . . . 15.0 109.875 172.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.65 115.42 27.02 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.432 -174.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.9 t80 -93.34 120.26 33.41 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.991 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.436 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.8 t-20 -89.94 113.85 25.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.088 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.17 -8.66 47.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 15.0 111.041 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.436 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 59.2 ttp180 -83.11 -21.91 33.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.695 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.595 HG21 ' HB3' ' A' ' 454' ' ' GLU . 5.2 t -136.25 4.27 2.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.995 0.426 . . . . 15.0 110.069 -178.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.6 mt 61.7 19.32 10.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.234 -0.893 . . . . 15.0 110.383 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' A' ' 452' ' ' THR . 43.2 tt0 -112.01 129.56 56.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.998 -0.547 . . . . 15.0 111.324 -172.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 26.3 t -110.16 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.961 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.72 137.74 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 4.3 m95 -78.66 -21.74 47.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.536 0.684 . . . . 15.0 109.893 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.42 137.04 36.08 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 46.7 mtpt -54.9 116.55 11.51 Favored Pre-proline 0 C--O 1.233 0.229 0 O-C-N 123.66 0.6 . . . . 15.0 111.799 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.19 161.18 29.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.831 2.354 . . . . 15.0 111.409 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.81 -17.21 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.407 0.622 . . . . 15.0 110.4 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.473 ' HG3' ' HZ2' ' A' ' 435' ' ' TRP . 10.2 mm-40 -71.16 -14.94 62.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.314 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.4 tp -137.65 16.62 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 15.0 110.355 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.511 -0.757 . . . . 15.0 110.645 -177.805 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 CA--C 1.527 0.091 0 N-CA-C 108.18 -1.045 . . . . 15.0 108.18 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.57 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 16.0 m95 -121.59 150.04 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.604 -1.18 . . . . 15.0 110.367 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 31.2 m -126.72 113.83 17.18 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 173.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 4.8 pt-20 -89.74 150.17 22.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.616 0.722 . . . . 15.0 110.285 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 94.2 m-85 -134.73 150.35 50.57 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 105.329 -2.1 . . . . 15.0 105.329 -172.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.48 145.28 46.44 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 117.658 -1.617 . . . . 15.0 112.26 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -90.06 150.17 22.2 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.1 171.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.95 60.84 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.193 0.442 . . . . 15.0 112.193 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -77.84 1.77 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.367 -0.378 . . . . 15.0 111.931 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 61.59 1.34 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.728 -0.748 . . . . 15.0 113.093 173.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.566 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.1 mmmm -144.32 125.37 14.47 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 119.461 -0.304 . . . . 15.0 111.501 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 4.8 t -96.93 150.2 21.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.186 -1.406 . . . . 15.0 108.74 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.32 128.02 23.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.022 0.439 . . . . 15.0 110.066 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -89.84 116.41 27.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.048 -172.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -91.14 122.27 33.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.193 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 4.6 t-20 -96.49 124.88 40.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.261 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.54 -26.14 57.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.335 0.588 . . . . 15.0 110.341 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -66.71 -22.5 66.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.102 -0.954 . . . . 15.0 112.817 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.505 HG21 ' HB3' ' A' ' 454' ' ' GLU . 9.8 t -136.06 4.98 3.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.99 21.55 9.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.632 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.505 ' HB3' HG21 ' A' ' 452' ' ' THR . 8.9 tp10 -113.42 141.06 47.53 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.261 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 20.7 t -111.36 125.29 53.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.069 0.461 . . . . 15.0 110.629 -176.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.69 133.98 54.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.5 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.1 m95 -70.48 -21.62 62.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.678 . . . . 15.0 110.094 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.25 136.43 33.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.67 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -75.04 125.33 89.38 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 15.0 111.702 -174.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.57 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 84.7 Cg_endo -75.07 161.54 38.39 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.372 2.715 . . . . 15.0 112.227 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -66.19 -21.99 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.296 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.42 -16.22 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.358 . . . . 15.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.5 tp -127.16 4.5 6.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.258 0.552 . . . . 15.0 110.31 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 10.9 tptp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.467 -0.777 . . . . 15.0 110.96 -177.478 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.629 -0.589 . . . . 15.0 111.629 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.78 -23.33 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.897 0.38 . . . . 15.0 111.185 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 59.5 m -147.65 -49.27 0.17 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.995 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -96.47 128.92 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.118 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.5 p -168.2 133.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.46 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.2 p -103.75 -109.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.879 -0.146 . . . . 15.0 111.297 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.435 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 1.0 OUTLIER -101.9 11.77 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.07 0.462 . . . . 15.0 110.69 -178.505 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.421 ' CH2' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 -99.07 150.08 22.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.158 0.504 . . . . 15.0 110.754 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 5.2 m -124.22 110.8 15.1 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.57 -0.9 . . . . 15.0 108.57 173.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 2.9 pt-20 -89.98 150.38 22.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.762 0.791 . . . . 15.0 110.616 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -134.99 150.35 50.33 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 105.435 -2.061 . . . . 15.0 105.435 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -122.55 140.14 53.12 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 117.568 -1.653 . . . . 15.0 112.325 -175.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.602 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 56.3 p -89.73 150.33 22.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.878 -1.056 . . . . 15.0 109.298 171.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.74 -29.97 55.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -172.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -78.16 3.41 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 58.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.672 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.602 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 64.3 mttm -141.51 124.06 15.89 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-O 119.577 -0.249 . . . . 15.0 111.372 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.01 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.59 150.05 21.09 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.567 -1.253 . . . . 15.0 109.397 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.425 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.2 p90 -137.53 125.09 22.15 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 171.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 84.8 m-85 -89.85 122.47 32.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.173 -173.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 2.6 t80 -101.85 119.79 39.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.428 -0.805 . . . . 15.0 109.86 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.421 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 26.8 t-20 -89.9 118.81 29.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.752 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -74.76 -5.04 41.13 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.611 0.597 . . . . 15.0 112.611 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.435 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 14.5 mtm180 -80.41 -44.75 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.768 -0.373 . . . . 15.0 110.433 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.494 HG21 ' HB2' ' A' ' 454' ' ' GLU . 3.2 t -122.15 7.61 9.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.56 0.695 . . . . 15.0 109.937 -175.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 39.8 mt 64.21 20.32 12.13 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.054 -0.976 . . . . 15.0 110.882 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.494 ' HB2' HG21 ' A' ' 452' ' ' THR . 33.0 mt-10 -93.2 123.57 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 15.0 112.002 -171.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 11.4 p -102.78 122.63 44.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.047 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -137.6 142.13 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 15.0 110.111 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.7 m95 -74.61 -25.42 59.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.196 0.522 . . . . 15.0 110.677 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -84.91 131.13 34.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.078 -172.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.581 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 6.7 mtpm? -60.96 117.34 24.69 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.033 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.91 159.07 39.77 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.559 2.839 . . . . 15.0 112.542 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.46 -29.15 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 15.0 111.184 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.8 -12.37 60.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 15.0 111.196 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.9 tp -129.31 17.96 5.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.474 0.654 . . . . 15.0 110.208 -175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.452 -0.785 . . . . 15.0 109.764 -179.055 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.712 -0.555 . . . . 15.0 111.712 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.06 132.19 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.5 t 47.16 28.13 0.92 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.092 0.957 . . . . 15.0 111.993 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.435 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . -158.99 142.01 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.848 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.671 ' HA ' ' HB3' ' A' ' 462' ' ' GLU . 87.1 t 75.58 120.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.969 0.793 . . . . 15.0 110.251 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.1 m 63.37 21.69 12.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.696 0.76 . . . . 15.0 109.972 -174.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -90.98 2.11 56.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.2 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.444 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.1 m95 -110.84 150.18 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.394 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.3 m -126.51 123.85 38.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.257 173.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -98.8 150.78 21.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.994 0.902 . . . . 15.0 112.385 -176.288 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -137.5 150.62 47.69 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.883 -1.895 . . . . 15.0 105.883 -167.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.012 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -118.12 141.68 48.23 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 117.71 -1.596 . . . . 15.0 112.857 -175.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 37.8 p -90.31 150.3 21.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.968 -1.014 . . . . 15.0 109.962 170.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.66 -29.88 53.8 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.34 3.2 18.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 64.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.425 -0.893 . . . . 15.0 112.714 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.58 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 48.6 mttp -149.3 123.62 9.6 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 119.531 -0.271 . . . . 15.0 111.619 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.012 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.9 t -92.8 140.52 29.43 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.032 -1.467 . . . . 15.0 108.753 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.553 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.1 p90 -126.81 127.61 45.28 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 57.4 m-85 -89.67 125.33 35.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.375 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' A' ' 436' ' ' THR . 4.0 t80 -106.35 121.96 45.28 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.991 -176.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.446 ' OD1' HG21 ' A' ' 452' ' ' THR . 27.0 t-20 -91.35 131.41 36.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.217 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.406 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 44.5 m-80 -84.53 -23.78 29.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 15.0 111.508 -174.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 451' ' ' ARG . 10.1 ttp180 -75.74 -36.47 59.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.722 -0.672 . . . . 15.0 112.389 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.446 HG21 ' OD1' ' A' ' 449' ' ' ASN . 9.3 t -126.79 10.8 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.768 0.318 . . . . 15.0 110.547 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.9 mt 59.32 30.49 20.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.719 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.401 ' CB ' HG23 ' A' ' 452' ' ' THR . 40.9 tt0 -95.96 111.73 23.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.57 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.9 p -102.55 120.79 41.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.779 0.324 . . . . 15.0 110.541 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.94 150.03 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.379 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.553 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.2 m95 -84.57 -11.81 55.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.383 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -97.89 155.12 17.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.954 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 65.3 mttt -76.05 124.88 88.52 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.084 0.469 . . . . 15.0 111.875 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -85.42 -174.15 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.21 2.607 . . . . 15.0 111.793 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -75.15 -17.89 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.292 0.568 . . . . 15.0 110.564 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 432' ' ' VAL . 1.9 mp0 -90.54 0.8 57.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 15.0 112.079 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 19.3 tp -154.41 23.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.014 0.435 . . . . 15.0 110.903 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.3 ttpm? . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.807 -0.633 . . . . 15.0 111.124 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.811 0 N-CA-C 111.997 -0.441 . . . . 15.0 111.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -167.22 -56.04 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.393 0.616 . . . . 15.0 112.135 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.7 t -119.28 -0.3 11.02 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.903 -171.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.643 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . . . -83.02 112.73 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 110.314 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.94 -18.12 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.203 0.525 . . . . 15.0 110.622 -177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.9 p -89.24 10.37 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.697 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.643 ' HG3' ' HB3' ' A' ' 431' ' ' ALA . 56.9 mt-10 -67.54 -5.31 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 15.0 110.955 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 3.6 m95 -118.64 150.11 40.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.274 0.559 . . . . 15.0 110.518 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.5 m -132.1 119.16 20.58 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.369 -0.832 . . . . 15.0 109.052 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.62 150.3 22.44 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.444 0.64 . . . . 15.0 110.01 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -137.99 150.26 46.83 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 105.484 -2.043 . . . . 15.0 105.484 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.969 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -116.67 142.43 46.91 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 117.626 -1.629 . . . . 15.0 112.679 -176.364 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.549 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.0 p -89.87 150.28 22.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.532 -1.213 . . . . 15.0 109.623 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.84 60.25 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.656 0.382 . . . . 15.0 111.684 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -74.58 -1.5 21.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.452 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 53.57 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.829 -0.701 . . . . 15.0 113.359 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.549 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 59.2 mttp -136.24 129.85 32.19 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 111.64 0.237 . . . . 15.0 111.64 177.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.969 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.2 t -95.86 150.04 20.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.15 -1.42 . . . . 15.0 108.682 174.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.485 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 3.6 p90 -142.63 128.41 19.33 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.265 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.419 -174.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.536 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 10.9 t80 -96.85 118.78 34.03 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.018 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 4.7 t-20 -91.36 118.98 30.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.653 -0.249 . . . . 15.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -75.22 -7.0 52.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.102 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.484 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 44.6 ttp180 -83.05 -26.0 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.338 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.485 HG21 ' CB ' ' A' ' 454' ' ' GLU . 8.9 t -142.2 11.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.557 . . . . 15.0 110.02 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.0 mt 57.87 26.44 13.28 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.3 -0.864 . . . . 15.0 110.803 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.485 ' CB ' HG21 ' A' ' 452' ' ' THR . 31.4 tt0 -107.62 135.66 48.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.657 -172.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -115.03 124.37 51.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.239 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -128.73 138.19 51.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.9 0.381 . . . . 15.0 110.004 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.429 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.6 m95 -77.22 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 15.0 109.972 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.89 149.19 22.15 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.993 -1.003 . . . . 15.0 110.427 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.2 120.21 79.08 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.118 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.72 161.43 28.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.441 2.761 . . . . 15.0 112.846 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.37 -17.11 62.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.275 0.559 . . . . 15.0 110.761 -177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.87 -5.25 53.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.194 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 30.0 tp -131.48 4.98 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.843 -175.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.401 -0.809 . . . . 15.0 110.462 -177.227 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.738 -0.545 . . . . 15.0 111.738 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -147.4 -178.73 6.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 15.0 111.204 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 50.4 m -146.81 121.69 9.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.486 -0.779 . . . . 15.0 108.953 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.72 174.8 7.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.137 0.494 . . . . 15.0 110.916 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.12 144.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.539 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 435' ' ' TRP . 30.7 m 59.56 41.47 18.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.593 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 66.4 mt-10 -71.45 4.52 2.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.183 0.516 . . . . 15.0 111.111 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.557 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.0 m95 -111.54 148.49 33.11 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.202 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 19.2 m -129.76 112.28 13.46 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.624 -0.88 . . . . 15.0 108.624 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -90.08 150.53 22.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.849 0.833 . . . . 15.0 111.204 -175.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -137.58 150.73 47.68 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 105.452 -2.055 . . . . 15.0 105.452 -167.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.01 143.64 47.95 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 117.723 -1.591 . . . . 15.0 112.387 -171.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.611 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 41.7 p -89.67 150.27 22.42 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.945 -1.025 . . . . 15.0 109.448 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.24 -30.06 48.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.686 0.625 . . . . 15.0 112.686 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -80.71 2.66 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.676 -0.238 . . . . 15.0 111.562 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 62.18 1.29 Allowed Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.989 -0.624 . . . . 15.0 113.384 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.611 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.9 mttt -146.18 128.38 15.72 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 111.69 0.256 . . . . 15.0 111.69 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.01 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.2 t -96.22 150.01 21.01 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.643 -1.223 . . . . 15.0 109.216 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.682 ' HD2' ' HG ' ' A' ' 455' ' ' SER . 1.6 p90 -138.17 126.9 23.68 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 109.236 -0.654 . . . . 15.0 109.236 172.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.71 118.05 29.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.733 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.4 t80 -96.51 120.57 37.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.383 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 21.8 t-20 -97.8 128.22 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 15.0 111.272 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -80.01 -2.13 42.76 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.838 0.681 . . . . 15.0 112.838 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.545 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 31.3 mtm-85 -86.91 -27.32 23.44 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.593 -0.443 . . . . 15.0 111.194 -178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.655 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.3 t -132.02 5.05 4.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.728 -0.471 . . . . 15.0 109.728 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 66.7 mt 59.69 24.57 13.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.228 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.655 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -108.27 137.5 46.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.795 -172.012 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.682 ' HG ' ' HD2' ' A' ' 446' ' ' TYR . 30.2 t -110.65 128.56 55.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.593 -177.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -126.6 138.2 53.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -75.75 -17.89 59.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 15.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -84.85 134.59 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.135 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.536 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.3 tttt -67.1 121.79 79.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.28 -173.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.679 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 53.0 Cg_endo -69.07 157.11 63.02 Favored 'Trans proline' 0 CA--C 1.521 -0.154 0 C-N-CA 123.108 2.539 . . . . 15.0 111.961 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.614 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 21.3 tt0 -84.0 -11.68 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.036 0.446 . . . . 15.0 110.688 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.02 -2.01 57.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 15.0 109.77 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.679 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -139.81 14.89 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.553 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.4 ttpt . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.426 -0.797 . . . . 15.0 110.452 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.327 -0.709 . . . . 15.0 111.327 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -76.2 121.1 22.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.959 -0.385 . . . . 15.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.9 p -76.1 -25.8 55.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 15.0 110.946 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -150.2 108.8 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.706 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 462' ' ' GLU . 37.1 t -85.2 87.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.743 0.782 . . . . 15.0 109.913 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.2 p -82.59 15.23 2.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.7 10.29 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.804 -0.635 . . . . 15.0 111.177 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -100.74 147.82 25.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.237 0.541 . . . . 15.0 110.739 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 m -125.34 116.87 22.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.817 -0.809 . . . . 15.0 108.817 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -89.79 150.27 22.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.889 0.852 . . . . 15.0 110.911 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.15 150.58 49.13 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 105.423 -2.065 . . . . 15.0 105.423 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.024 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -121.42 142.17 50.28 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.648 -1.621 . . . . 15.0 112.46 -175.278 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 47.7 p -89.73 150.37 22.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.88 -1.054 . . . . 15.0 109.656 172.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.56 -29.89 27.88 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.663 0.616 . . . . 15.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.82 0.46 26.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.708 0.289 . . . . 15.0 111.477 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 53.44 2.35 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.911 -0.661 . . . . 15.0 113.097 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.612 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.27 23.9 mttm -132.29 129.76 39.97 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 119.435 -0.317 . . . . 15.0 111.715 177.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.024 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.6 t -96.62 150.23 20.9 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 118.031 -1.467 . . . . 15.0 108.92 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.5 p90 -142.02 128.8 20.5 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.027 0.441 . . . . 15.0 109.93 173.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -89.86 121.71 32.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.378 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 0.2 OUTLIER -102.71 123.39 46.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 15.0 110.078 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 20.7 t-20 -89.95 118.56 29.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.782 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -72.5 -6.78 46.17 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.063 0.394 . . . . 15.0 112.063 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.567 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.2 ttp180 -82.84 -23.72 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 15.0 111.049 -175.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -147.69 9.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 15.0 111.104 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.9 mt 62.06 28.44 17.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.678 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.1 tp10 -95.2 118.23 31.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.513 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 39.2 t -107.54 126.66 52.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.635 0.255 . . . . 15.0 110.602 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -146.36 142.33 28.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 15.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 2.2 m95 -72.19 -30.87 65.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.427 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -76.31 126.52 31.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.406 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -51.24 118.33 10.52 Favored Pre-proline 0 C--O 1.234 0.241 0 O-C-N 123.841 0.713 . . . . 15.0 111.06 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.46 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 27.4 Cg_endo -62.6 144.37 94.21 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.1 2.533 . . . . 15.0 113.067 -175.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.58 -15.08 62.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.934 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.49 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 52.5 mt-10 -81.07 -8.96 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.197 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.46 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -144.06 23.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.404 -174.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.129 -0.938 . . . . 15.0 111.196 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.965 -0.454 . . . . 15.0 111.965 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -113.97 -48.63 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.736 0.779 . . . . 15.0 110.996 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.5 m -110.67 7.45 22.28 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.772 -1.104 . . . . 15.0 110.122 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -154.17 151.96 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.583 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.43 ' C ' ' H ' ' A' ' 434' ' ' GLU . 34.9 m -101.12 6.48 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.418 0.627 . . . . 15.0 110.139 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 p -75.92 37.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.161 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 6.1 tp10 -74.9 -5.39 43.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 15.0 110.463 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.541 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 23.5 m95 -113.67 149.73 34.24 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.276 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.0 m -132.74 121.24 22.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.223 -0.899 . . . . 15.0 108.833 171.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -89.76 150.52 22.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 15.0 111.633 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -136.32 150.51 48.91 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 105.78 -1.933 . . . . 15.0 105.78 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.004 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.6 141.86 49.92 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 117.631 -1.628 . . . . 15.0 112.62 -174.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.7 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.2 p -90.15 150.14 22.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.979 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.45 -30.26 39.7 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.036 0.754 . . . . 15.0 113.036 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.5 -1.57 31.12 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.93 0.344 . . . . 15.0 111.93 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 65.13 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.556 -0.83 . . . . 15.0 112.416 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.7 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 95.7 mttt -145.03 125.43 13.92 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 122.703 0.401 . . . . 15.0 111.209 177.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.004 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.8 t -94.57 150.06 20.62 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.005 -1.478 . . . . 15.0 108.812 174.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.504 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 3.1 p90 -142.54 132.03 23.73 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.723 -0.473 . . . . 15.0 109.723 173.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -89.79 122.19 32.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.173 -170.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.541 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 2.6 t80 -95.45 121.15 36.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.399 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 19.4 t-20 -98.39 121.42 40.31 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.401 -177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.92 -12.25 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.613 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.519 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.4 ttp180 -71.52 -26.85 62.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.266 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.495 HG21 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -146.4 11.69 1.16 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.967 0.413 . . . . 15.0 110.332 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 62.17 24.23 14.4 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.351 -0.841 . . . . 15.0 111.605 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.495 ' HB2' HG21 ' A' ' 452' ' ' THR . 58.9 mm-40 -101.42 131.16 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.225 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -117.29 124.56 49.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.524 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -142.34 150.34 40.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.472 . . . . 15.0 110.367 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.504 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.1 m95 -71.29 -7.5 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.967 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.9 136.08 33.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.609 0.242 . . . . 15.0 110.985 -172.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -61.85 117.4 28.39 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.246 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 143.97 28.3 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.472 2.781 . . . . 15.0 112.852 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -63.57 -29.01 70.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 15.0 109.955 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.64 -9.85 59.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.916 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.78 16.32 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 15.0 110.621 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.751 -0.642 . . . . 15.0 111.097 -175.493 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 112.66 -0.176 . . . . 15.0 112.66 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -114.23 -32.36 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.404 0.621 . . . . 15.0 109.868 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.571 ' HB ' ' HA ' ' A' ' 434' ' ' GLU . 4.3 m -117.56 -7.5 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.234 -0.894 . . . . 15.0 110.757 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.647 ' O ' ' HB2' ' A' ' 434' ' ' GLU . . . 60.5 -148.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.118 -0.492 . . . . 15.0 109.969 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.437 ' O ' ' HB3' ' A' ' 433' ' ' SER . 85.9 t -56.31 135.94 19.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 173.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 26.1 t 80.21 24.42 0.38 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.228 0.955 . . . . 15.0 110.143 -173.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 431' ' ' ALA . 23.4 tt0 -73.24 1.66 8.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.62 0.724 . . . . 15.0 109.999 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.462 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -107.72 149.95 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.696 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.2 m -126.41 114.85 18.74 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.974 -0.75 . . . . 15.0 108.974 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -90.03 150.72 21.99 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.803 0.811 . . . . 15.0 110.873 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 74.5 m-85 -136.94 150.46 48.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 105.396 -2.075 . . . . 15.0 105.396 -171.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.981 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.22 138.18 53.78 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 117.644 -1.622 . . . . 15.0 112.245 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.59 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 69.1 p -89.76 150.05 22.45 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.785 174.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.16 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.67 0.619 . . . . 15.0 112.67 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.45 1.18 17.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.845 0.313 . . . . 15.0 111.845 -177.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 15.0 112.808 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.59 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.271 30.1 mmmt -139.61 129.98 25.46 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 119.166 -0.445 . . . . 15.0 111.537 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.981 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.0 t -96.9 150.09 21.14 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.282 -1.367 . . . . 15.0 108.365 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.681 ' HD2' ' HG ' ' A' ' 455' ' ' SER . 1.3 p90 -137.47 124.97 22.07 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 67.1 m-85 -89.89 116.17 27.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.296 -0.866 . . . . 15.0 109.463 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.7 t80 -97.96 117.65 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.757 -175.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 23.3 t-20 -90.05 115.65 27.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.268 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -75.33 -0.55 20.12 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.977 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.456 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 41.6 ttp-105 -90.04 -26.63 20.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.626 -0.261 . . . . 15.0 111.375 -175.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.677 HG22 ' HB2' ' A' ' 454' ' ' GLU . 7.7 t -137.24 11.19 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.11 0.481 . . . . 15.0 110.313 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 56.7 mt 63.46 20.12 12.07 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.032 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.677 ' HB2' HG22 ' A' ' 452' ' ' THR . 34.6 mm-40 -98.79 128.43 45.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.01 0.374 . . . . 15.0 112.01 -172.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.681 ' HG ' ' HD2' ' A' ' 446' ' ' TYR . 23.2 t -101.14 125.57 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 15.0 109.819 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -131.63 140.41 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.0 m95 -90.16 -8.99 49.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 15.0 110.673 -173.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.4 142.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.687 -173.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -64.03 115.31 18.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 15.0 112.296 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 92.1 Cg_endo -79.86 172.96 13.4 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.927 2.418 . . . . 15.0 111.139 174.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.62 -15.32 63.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.004 0.43 . . . . 15.0 111.532 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.2 8.3 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.379 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 20.3 tp -157.46 24.87 0.29 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.727 -0.389 . . . . 15.0 111.53 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.993 -1.003 . . . . 15.0 110.831 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.857 -0.497 . . . . 15.0 111.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 67.9 165.48 0.23 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.235 0.614 . . . . 15.0 112.094 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.469 HG22 ' HG2' ' A' ' 462' ' ' GLU . 8.8 t -140.02 134.14 31.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.994 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 462' ' ' GLU . . . -165.07 134.6 3.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 15.0 109.564 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.5 p -170.09 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.892 0.377 . . . . 15.0 110.751 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.7 p -84.64 33.76 0.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.148 0.499 . . . . 15.0 110.548 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -10.19 59.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.136 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -89.73 146.44 24.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.522 0.677 . . . . 15.0 110.242 -175.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.512 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 4.1 m -119.14 105.57 11.52 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.129 -0.941 . . . . 15.0 109.161 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.83 150.51 22.21 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.622 0.725 . . . . 15.0 110.377 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -134.9 150.36 50.42 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.064 -2.199 . . . . 15.0 105.064 -170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.986 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.07 137.37 54.84 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 117.364 -1.735 . . . . 15.0 111.892 -177.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.769 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 74.7 p -89.78 150.23 22.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.756 -1.111 . . . . 15.0 110.146 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.93 -29.55 29.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.812 1.041 . . . . 15.0 113.812 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.92 5.37 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 15.0 111.497 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 53.95 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.923 -0.656 . . . . 15.0 112.13 176.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.769 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 23.5 mmtp -134.84 129.15 34.02 Favored 'General case' 0 CA--C 1.478 -1.816 0 N-CA-C 112.933 0.716 . . . . 15.0 112.933 -176.323 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.986 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 m -99.73 150.1 22.66 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.526 -0.869 . . . . 15.0 109.139 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.4 OUTLIER -143.53 123.99 13.95 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.471 -0.566 . . . . 15.0 109.471 167.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 71.4 m-85 -89.76 124.08 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.351 -0.841 . . . . 15.0 109.545 -173.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.3 t80 -104.24 124.28 48.85 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.607 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.77 118.75 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.951 -0.568 . . . . 15.0 109.835 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.0 -11.18 60.65 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -78.28 -26.03 46.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 15.0 111.652 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.3 t -140.73 6.62 2.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.446 0.641 . . . . 15.0 109.605 -176.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 63.35 21.02 12.59 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.165 -0.925 . . . . 15.0 110.898 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.525 ' HB2' HG23 ' A' ' 452' ' ' THR . 79.9 mm-40 -107.18 134.41 50.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.403 -173.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 448' ' ' TYR . 18.0 p -125.4 133.18 52.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.738 0.304 . . . . 15.0 111.621 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -135.41 149.97 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.627 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 1.7 m95 -81.86 -7.7 59.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.244 -0.434 . . . . 15.0 111.385 -174.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.04 111.89 24.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.031 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.697 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 14.6 ttmm -35.43 110.51 0.42 Allowed Pre-proline 0 N--CA 1.469 0.497 0 O-C-N 124.419 1.074 . . . . 15.0 112.822 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 35.1 Cg_endo -65.08 153.16 79.64 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.486 2.791 . . . . 15.0 112.644 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.44 -29.3 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.559 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.469 ' HG2' HG22 ' A' ' 430' ' ' THR . 72.1 mt-10 -75.64 -7.88 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 15.0 111.278 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.7 tp -143.92 22.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 15.0 109.725 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.697 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 25.1 ttmm . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.206 -0.902 . . . . 15.0 110.373 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.84 -0.504 . . . . 15.0 111.84 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -129.45 -26.49 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.827 0.346 . . . . 15.0 110.885 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.8 m -107.19 110.58 22.67 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.612 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 69.78 101.26 0.06 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.989 0.806 . . . . 15.0 111.456 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.9 p -161.97 138.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.342 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.468 ' HA ' HD11 ' A' ' 463' ' ' LEU . 28.5 t 68.42 24.73 7.1 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.257 176.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.11 26.68 1.14 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.883 0.373 . . . . 15.0 110.845 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 7.8 m95 -110.51 150.18 29.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.262 0.554 . . . . 15.0 111.728 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 27.4 m -133.85 118.06 17.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.29 -0.868 . . . . 15.0 108.939 173.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.3 OUTLIER -89.89 150.66 22.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.004 0.907 . . . . 15.0 111.51 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -134.31 150.36 50.96 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 105.101 -2.185 . . . . 15.0 105.101 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.018 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.41 145.27 48.44 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.647 -1.621 . . . . 15.0 112.401 -175.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 59.0 p -89.91 150.15 22.31 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.544 -1.207 . . . . 15.0 109.023 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.41 -29.52 35.42 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.181 0.437 . . . . 15.0 112.181 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.38 4.57 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.246 0.461 . . . . 15.0 112.246 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 40.76 5.8 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.88 -0.676 . . . . 15.0 113.808 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.539 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 52.8 mtpt -124.59 128.1 48.39 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.018 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 t -98.25 150.07 21.92 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.065 -1.054 . . . . 15.0 110.003 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.624 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -138.07 126.04 22.67 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.491 -0.559 . . . . 15.0 109.491 171.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -89.63 115.2 26.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.829 -0.623 . . . . 15.0 109.525 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.1 t80 -94.86 121.21 36.22 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.529 -0.76 . . . . 15.0 110.182 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.405 ' OD1' HG21 ' A' ' 452' ' ' THR . 24.3 t-20 -89.92 115.44 27.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.838 0.351 . . . . 15.0 110.331 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -74.67 -3.26 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.488 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -88.32 -22.3 23.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.586 -0.279 . . . . 15.0 111.23 -175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.0 t -138.86 8.76 2.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.514 0.673 . . . . 15.0 109.386 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.7 mt 64.32 20.11 12.04 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.654 -1.157 . . . . 15.0 110.956 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.546 ' HB2' HG23 ' A' ' 452' ' ' THR . 45.7 mt-10 -110.62 129.31 55.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 15.0 111.842 -174.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 3.0 p -109.52 131.78 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.58 . . . . 15.0 111.729 -177.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.69 142.85 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.624 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.4 m95 -69.92 -27.14 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.742 0.306 . . . . 15.0 111.584 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.39 144.72 27.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.229 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.4 112.64 10.71 Favored Pre-proline 0 C--O 1.234 0.255 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.111 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.4 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -71.99 150.65 55.11 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.017 2.478 . . . . 15.0 113.013 -173.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.14 -21.67 65.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.68 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.13 -2.38 37.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.813 -0.631 . . . . 15.0 110.182 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 433' ' ' SER . 29.6 tp -147.89 29.84 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.444 -0.947 . . . . 15.0 108.444 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.41 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 9.7 ttpp . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.914 -1.039 . . . . 15.0 112.117 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.925 -0.47 . . . . 15.0 111.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -79.52 51.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.307 0.575 . . . . 15.0 110.881 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.3 t -138.87 -1.1 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.517 -0.765 . . . . 15.0 110.295 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -79.12 153.89 29.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.437 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.603 HG12 ' HB3' ' A' ' 462' ' ' GLU . 40.2 t -83.2 102.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.261 0.553 . . . . 15.0 111.044 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.7 t -132.88 24.42 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.566 -0.901 . . . . 15.0 108.566 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.27 7.99 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.643 -1.162 . . . . 15.0 112.06 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 10.8 m95 -113.67 150.11 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.279 0.562 . . . . 15.0 111.824 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.4 m -135.97 121.97 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.739 172.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 3.2 pt-20 -89.81 150.5 22.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.755 0.788 . . . . 15.0 111.076 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -138.34 150.35 46.51 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.317 -2.105 . . . . 15.0 105.317 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.029 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -121.66 140.23 52.55 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.84 -1.544 . . . . 15.0 112.954 -174.035 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.422 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 18.9 p -89.97 150.18 22.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.406 170.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.47 -29.83 37.76 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.944 0.72 . . . . 15.0 112.944 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.9 p-10 -73.18 -1.0 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 15.0 111.683 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 41.96 5.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.979 -0.629 . . . . 15.0 113.44 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.428 ' C ' ' CD ' ' A' ' 439' ' ' LYS . 5.9 mtmp? -123.5 131.26 53.59 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 111.39 0.144 . . . . 15.0 111.39 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.029 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.06 149.99 20.98 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.869 -1.133 . . . . 15.0 108.825 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.472 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -136.67 127.15 26.77 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 39.3 m-85 -89.78 116.43 27.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.417 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.501 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.5 t80 -93.12 118.63 31.44 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.088 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 452' ' ' THR . 22.0 t-20 -91.01 115.78 28.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.154 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -72.76 -5.59 38.95 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.86 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.407 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 43.6 ttp180 -89.0 -27.45 20.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.679 0.276 . . . . 15.0 111.498 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.916 HG21 ' HB2' ' A' ' 454' ' ' GLU . 9.4 t -135.63 9.56 3.38 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.063 0.459 . . . . 15.0 110.161 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.9 mt 64.04 20.84 12.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.359 -0.837 . . . . 15.0 111.072 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.916 ' HB2' HG21 ' A' ' 452' ' ' THR . 0.2 OUTLIER -97.37 123.03 41.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.462 -172.017 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 m -109.02 119.47 39.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.428 -0.351 . . . . 15.0 110.379 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -132.31 143.04 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.243 -0.28 . . . . 15.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.8 m95 -73.92 -18.26 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 15.0 110.874 -176.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -105.91 120.33 41.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.147 0.498 . . . . 15.0 111.098 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.881 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 16.6 ptpt -69.09 128.01 92.82 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.241 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.28 -171.52 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.008 2.472 . . . . 15.0 111.295 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -65.67 -12.61 55.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.117 0.484 . . . . 15.0 110.864 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.603 ' HB3' HG12 ' A' ' 432' ' ' VAL . 49.4 mt-10 -72.72 -18.77 61.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 15.0 111.897 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 17.7 tp -147.02 15.7 1.19 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 15.0 111.426 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.881 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 15.1 ttpp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.346 -0.835 . . . . 15.0 110.671 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 N-CA-C 111.292 -0.723 . . . . 15.0 111.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.96 64.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.229 0.538 . . . . 15.0 110.955 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.7 m -94.37 -22.57 18.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.552 . . . . 15.0 110.645 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -152.88 117.82 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.1 -16.3 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.393 0.616 . . . . 15.0 110.044 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.8 m -76.99 18.88 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.494 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.9 -15.45 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.915 0.388 . . . . 15.0 110.583 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.529 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -112.07 144.6 41.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.522 0.677 . . . . 15.0 111.595 -171.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 6.3 m -126.49 109.89 12.67 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.6 -1.182 . . . . 15.0 108.018 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.03 150.71 21.98 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.671 0.748 . . . . 15.0 111.32 -176.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -137.23 150.29 47.76 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 103.91 -2.626 . . . . 15.0 103.91 -169.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.002 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.6 OUTLIER -111.89 148.08 34.44 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 116.914 -1.914 . . . . 15.0 111.298 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.42 150.01 22.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.53 -1.214 . . . . 15.0 108.947 169.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.06 -30.06 46.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD1' ' HD3' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -77.05 5.24 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.414 -179.137 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.62 64.13 1.78 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.903 -0.665 . . . . 15.0 112.897 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.548 ' HD3' ' OD1' ' A' ' 442' ' ' ASP . 22.8 mtpt -151.93 126.04 9.21 Favored 'General case' 0 CA--C 1.478 -1.818 0 C-N-CA 122.595 0.358 . . . . 15.0 111.022 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.002 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 m -90.03 147.88 23.4 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 108.482 -0.933 . . . . 15.0 108.482 -176.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.489 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.6 OUTLIER -137.24 126.06 24.05 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.267 0.556 . . . . 15.0 109.742 170.498 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.8 121.63 32.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.501 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.529 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.0 t80 -105.35 118.53 36.8 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.949 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.687 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 23.0 t-20 -89.92 121.0 31.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 15.0 110.288 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -78.88 -0.26 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.995 0.739 . . . . 15.0 112.995 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.687 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 11.8 ptt180 -102.82 -10.78 18.8 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.999 -0.68 . . . . 15.0 111.358 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 454' ' ' GLU . 9.2 t -140.89 6.16 1.99 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.241 -0.651 . . . . 15.0 109.241 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 40.2 mt 61.02 20.21 10.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.094 -0.957 . . . . 15.0 111.052 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.463 ' CB ' HG22 ' A' ' 452' ' ' THR . 30.9 tt0 -95.74 125.78 40.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 15.0 111.471 -170.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 m -111.26 134.54 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.89 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.08 144.49 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.116 -0.327 . . . . 15.0 110.116 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.489 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.3 m95 -78.02 -24.24 47.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.112 0.482 . . . . 15.0 110.891 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.89 139.24 30.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.204 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 459' ' ' LYS . 18.3 ptpt -65.37 123.86 85.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.219 0.533 . . . . 15.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.36 166.27 28.88 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.594 2.196 . . . . 15.0 111.493 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.72 -13.15 29.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.296 0.569 . . . . 15.0 110.648 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.73 -11.58 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.298 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.7 tp -127.16 19.74 6.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.785 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.584 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.217 -0.353 . . . . 15.0 112.217 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.06 -28.42 68.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 15.0 111.595 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.1 t -111.6 145.98 38.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.108 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -143.24 97.38 3.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.961 0.41 . . . . 15.0 110.615 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.74 -29.1 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 15.0 110.608 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.3 m -80.6 3.83 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.752 -0.658 . . . . 15.0 111.455 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.846 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 5.6 tp10 -85.09 3.98 36.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.009 0.433 . . . . 15.0 110.526 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.581 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 4.3 m95 -119.47 150.15 40.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.548 0.69 . . . . 15.0 110.943 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.4 m -136.26 124.72 23.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.961 -1.018 . . . . 15.0 108.667 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.93 150.25 22.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.538 0.685 . . . . 15.0 110.31 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -139.24 150.69 45.79 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.043 -2.206 . . . . 15.0 105.043 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.008 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.74 144.14 45.58 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 117.547 -1.661 . . . . 15.0 112.525 -174.552 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.676 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 38.7 p -89.83 150.18 22.35 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.629 -1.168 . . . . 15.0 109.138 170.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.86 30.28 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.185 0.809 . . . . 15.0 113.185 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.12 2.01 22.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.84 52.47 2.61 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.938 -0.648 . . . . 15.0 113.344 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.676 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 43.5 mttp -130.76 122.97 28.18 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 119.389 -0.339 . . . . 15.0 111.355 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.008 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.1 t -94.21 149.94 20.77 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 117.941 -1.504 . . . . 15.0 108.87 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.01 131.43 28.55 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.806 -0.442 . . . . 15.0 109.806 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -89.8 117.75 28.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.213 -0.662 . . . . 15.0 109.213 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.6 t80 -96.44 118.89 33.9 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.459 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -90.09 116.73 28.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.612 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.49 -11.18 60.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.965 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.846 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 31.6 mtm180 -78.78 -23.02 45.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -175.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.579 HG21 ' HB2' ' A' ' 454' ' ' GLU . 8.0 t -141.55 8.09 1.95 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.389 0.614 . . . . 15.0 109.801 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 45.0 mt 63.66 20.64 12.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.505 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 452' ' ' THR . 41.0 mt-10 -104.9 130.54 53.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.191 -175.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.0 t -120.23 124.3 45.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.598 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.72 150.32 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.105 0.479 . . . . 15.0 109.755 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.4 m95 -77.67 -2.7 37.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.216 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -95.56 132.07 41.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.518 -172.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -63.15 116.26 23.63 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.746 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.456 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 42.9 Cg_endo -68.01 166.08 26.01 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.925 2.417 . . . . 15.0 112.004 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.37 0.605 . . . . 15.0 110.621 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.88 -11.28 45.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -144.97 29.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.504 0.669 . . . . 15.0 109.889 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.081 -178.508 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 111.506 -0.638 . . . . 15.0 111.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.9 14.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.862 0.363 . . . . 15.0 111.341 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 53.1 m -146.75 120.77 9.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.359 . . . . 15.0 111.046 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -156.13 163.17 39.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 15.0 109.759 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.82 162.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.677 -0.238 . . . . 15.0 110.434 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 t 61.7 29.12 18.0 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.308 0.575 . . . . 15.0 109.867 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 3.75 7.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.378 -0.828 . . . . 15.0 111.609 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.45 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 8.5 m95 -89.67 148.19 23.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.616 -0.513 . . . . 15.0 109.616 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.0 m -121.21 111.37 17.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.789 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -89.83 150.58 22.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.66 0.743 . . . . 15.0 110.576 178.395 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 84.3 m-85 -135.38 150.25 49.87 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.309 -2.108 . . . . 15.0 105.309 -173.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.974 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.16 141.11 51.79 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 117.542 -1.663 . . . . 15.0 112.63 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.591 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.1 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.243 -1.344 . . . . 15.0 109.478 173.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.72 -29.85 29.16 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -174.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -82.11 3.33 27.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.913 0.338 . . . . 15.0 111.913 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 55.72 1.93 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.836 -0.697 . . . . 15.0 113.031 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.591 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.8 mtpp -135.22 126.12 27.54 Favored 'General case' 0 CA--C 1.483 -1.608 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.974 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 11.2 t -100.0 150.26 22.61 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.502 -1.279 . . . . 15.0 109.129 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.7 p90 -140.23 124.41 17.69 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.098 0.475 . . . . 15.0 110.077 172.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 47.2 m-85 -90.21 117.75 29.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.342 -0.845 . . . . 15.0 109.69 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.2 120.03 32.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.995 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.535 ' OD1' HG23 ' A' ' 452' ' ' THR . 4.0 t-20 -90.4 124.94 35.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.1 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -83.01 -12.29 57.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.705 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.406 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.1 ttp180 -69.63 -36.04 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.597 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.678 HG22 ' HB2' ' A' ' 454' ' ' GLU . 8.9 t -134.25 10.7 3.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.003 0.43 . . . . 15.0 110.153 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.4 mt 61.57 24.55 14.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.293 -0.867 . . . . 15.0 110.966 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG22 ' A' ' 452' ' ' THR . 23.3 mm-40 -105.53 130.59 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.897 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 p -99.75 127.37 45.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.684 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -137.46 140.24 41.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.773 0.32 . . . . 15.0 110.464 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.8 m95 -76.07 -16.33 59.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.326 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.444 ' HA ' ' OE1' ' A' ' 458' ' ' GLU . 5.3 mm-40 -105.67 168.4 9.12 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.342 0.591 . . . . 15.0 112.038 -171.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.646 ' N ' ' HD2' ' A' ' 459' ' ' LYS . 6.7 mptt -94.01 120.15 66.03 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 15.0 111.533 -167.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.569 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 91.4 Cg_endo -76.76 -173.3 1.69 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.924 2.416 . . . . 15.0 111.7 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -71.82 -25.07 61.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 15.0 111.404 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.569 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.8 pm0 -77.15 0.76 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 15.0 111.154 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 13.0 tp -137.38 12.24 3.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.978 0.418 . . . . 15.0 110.856 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 26.4 tptp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.414 -0.803 . . . . 15.0 110.028 -179.174 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.986 -0.445 . . . . 15.0 111.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -150.72 -25.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 15.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.9 m -80.23 -24.86 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.786 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.01 87.63 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.487 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 26.6 m -81.53 -18.61 11.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 15.0 110.782 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.2 m -80.73 86.48 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.277 0.561 . . . . 15.0 110.012 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.691 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 11.1 pt-20 -103.98 10.95 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.24 -0.891 . . . . 15.0 110.473 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.636 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 9.5 m95 -107.86 150.12 27.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.1 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 16.6 m -123.72 119.82 30.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.041 173.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 3.9 pt-20 -90.1 150.4 22.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.903 0.859 . . . . 15.0 111.182 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -139.19 150.65 45.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 105.108 -2.182 . . . . 15.0 105.108 -170.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.031 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.5 144.8 44.7 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.514 -1.674 . . . . 15.0 112.628 -175.134 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 28.5 p -89.68 150.17 22.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.491 -1.231 . . . . 15.0 109.176 170.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.65 -30.12 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.14 0.422 . . . . 15.0 112.14 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -0.08 16.9 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 31.93 10.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.681 -0.771 . . . . 15.0 113.483 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HE3' ' CE3' ' A' ' 457' ' ' TRP . 29.0 mtpp -117.26 129.43 55.91 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 111.668 0.248 . . . . 15.0 111.668 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.031 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -91.42 149.89 21.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 118.432 -1.307 . . . . 15.0 108.81 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.704 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 2.3 p90 -137.16 130.43 31.09 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -89.94 122.11 32.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.832 . . . . 15.0 109.854 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 436' ' ' THR . 11.0 t80 -97.72 119.67 36.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.217 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 17.7 t-20 -92.11 124.0 35.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.056 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -80.92 -5.11 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.767 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.691 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 24.8 ttm180 -78.36 -40.85 35.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.868 0.366 . . . . 15.0 110.829 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.416 HG23 ' OD1' ' A' ' 449' ' ' ASN . 7.0 t -129.34 9.56 5.63 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.35 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 64.1 mt 62.51 27.49 16.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.525 -0.761 . . . . 15.0 110.692 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.28 127.31 46.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.427 -0.351 . . . . 15.0 110.93 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.4 p -104.37 112.26 25.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.585 -0.28 . . . . 15.0 110.933 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -125.5 133.05 52.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.704 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.9 m95 -64.39 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 15.0 111.204 -175.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.43 125.46 35.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.408 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 20.0 ptmt -63.68 140.08 97.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.402 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.636 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 86.2 Cg_endo -73.91 168.8 23.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.194 2.596 . . . . 15.0 112.02 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.74 -29.03 70.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.923 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.402 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 3.3 mp0 -64.6 -19.25 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 15.0 111.186 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -116.57 -1.33 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.18 0.514 . . . . 15.0 110.529 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.495 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 1.2 ttpm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.794 -0.622 . . . . 15.0 110.814 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.046 -0.421 . . . . 15.0 112.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 69.14 153.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.494 0.717 . . . . 15.0 111.325 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.8 t -109.1 122.31 47.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.49 0.662 . . . . 15.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -167.12 163.89 15.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 15.0 109.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 81.5 t 68.4 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 123.808 0.693 . . . . 15.0 110.803 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 89.0 p 53.21 26.5 5.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.351 0.66 . . . . 15.0 110.49 -174.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.542 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 6.9 pt-20 -77.33 0.54 21.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.194 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.61 ' HB2' HD21 ' A' ' 463' ' ' LEU . 13.8 m95 -100.1 150.16 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.499 . . . . 15.0 110.143 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 10.5 m -128.89 121.33 27.91 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.869 -0.789 . . . . 15.0 108.869 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.79 150.33 22.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.731 0.776 . . . . 15.0 110.44 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.0 150.32 46.87 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.405 -2.072 . . . . 15.0 105.405 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.04 147.42 44.13 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.798 -1.561 . . . . 15.0 112.302 -173.643 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.3 p -89.69 150.34 22.38 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.566 -1.197 . . . . 15.0 109.099 173.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.12 -30.12 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.82 -0.64 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.762 0.282 . . . . 15.0 111.762 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 61.23 1.34 Allowed Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.811 -0.709 . . . . 15.0 113.239 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.543 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.259 54.3 mttp -136.77 127.89 27.89 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 122.397 0.279 . . . . 15.0 110.818 175.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.01 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -96.06 150.21 20.74 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 117.944 -1.502 . . . . 15.0 109.207 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.483 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 2.3 p90 -144.23 131.72 21.0 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.802 -0.444 . . . . 15.0 109.802 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 455' ' ' SER . 86.8 m-85 -89.91 124.61 34.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.714 . . . . 15.0 110.695 -172.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.0 t80 -104.5 120.01 40.29 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.568 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.579 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 4.2 t-20 -89.82 118.73 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.469 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -75.25 -10.32 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.579 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.2 ptt180 -93.25 -16.74 24.44 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 119.927 -0.709 . . . . 15.0 112.085 -174.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.58 HG21 ' HB2' ' A' ' 454' ' ' GLU . 15.3 t -143.29 9.7 1.66 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.37 -0.532 . . . . 15.0 110.745 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.0 mt 64.95 23.15 12.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.09 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.58 ' HB2' HG21 ' A' ' 452' ' ' THR . 38.8 tt0 -90.23 116.76 28.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.401 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.5 m -110.83 125.46 53.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.656 0.265 . . . . 15.0 111.15 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.23 146.19 33.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.718 -0.475 . . . . 15.0 109.718 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.2 m95 -73.49 -21.89 60.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.66 141.76 28.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.071 -174.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 459' ' ' LYS . 44.6 mtpt -65.96 118.21 49.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.958 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HG3' ' CH2' ' A' ' 435' ' ' TRP . 96.3 Cg_endo -78.34 168.27 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.586 2.191 . . . . 15.0 110.977 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.619 ' HG3' ' HD3' ' A' ' 464' ' ' LYS . 35.9 tt0 -73.63 -12.22 60.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.47 0.652 . . . . 15.0 109.515 178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.11 -0.26 27.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.148 -0.933 . . . . 15.0 110.962 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 435' ' ' TRP . 25.4 tp -152.3 21.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.358 . . . . 15.0 110.575 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.619 ' HD3' ' HG3' ' A' ' 461' ' ' GLN . 21.4 pttp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 119.053 -0.499 . . . . 15.0 111.172 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.171 -0.371 . . . . 15.0 112.171 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -107.65 20.44 18.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.73 0.265 . . . . 15.0 111.71 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.9 p -68.36 -41.75 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.919 0.39 . . . . 15.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.06 105.32 12.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.128 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.2 m -90.68 8.64 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.602 0.715 . . . . 15.0 110.157 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.4 p -85.26 13.88 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.971 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.591 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 42.2 mt-10 -70.4 0.62 6.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.896 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.59 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 5.0 m95 -109.09 149.67 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.352 0.596 . . . . 15.0 111.219 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 27.5 m -136.97 118.08 14.41 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.438 -0.949 . . . . 15.0 108.438 171.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.03 150.59 22.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.691 0.758 . . . . 15.0 111.282 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -135.23 150.32 50.05 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.466 -2.049 . . . . 15.0 105.466 -167.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.018 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.76 139.01 52.97 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 117.057 -1.857 . . . . 15.0 112.13 -175.203 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.574 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.0 p -89.75 150.07 22.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.066 -0.97 . . . . 15.0 110.098 173.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.55 -29.95 28.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.174 0.805 . . . . 15.0 113.174 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.25 -1.58 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.824 0.305 . . . . 15.0 111.824 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 60.91 1.36 Allowed Glycine 0 C--N 1.329 0.15 0 C-N-CA 120.937 -0.649 . . . . 15.0 112.372 177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.574 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.2 mmmm -146.81 126.92 13.74 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 111.949 0.351 . . . . 15.0 111.949 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.018 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.3 t -96.23 150.15 20.86 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.7 -1.2 . . . . 15.0 109.51 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -138.58 128.91 25.86 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 171.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -89.79 119.55 30.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.448 -0.575 . . . . 15.0 109.448 -173.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.59 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 4.5 t80 -97.63 116.27 29.52 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.553 -0.749 . . . . 15.0 110.126 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.87 117.47 28.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.255 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.65 -1.28 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.596 0.236 . . . . 15.0 111.3 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.591 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 38.9 ttp180 -89.48 -16.87 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 15.0 111.178 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.423 HG23 ' CB ' ' A' ' 454' ' ' GLU . 9.8 t -145.39 10.07 1.25 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.191 0.519 . . . . 15.0 109.823 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 53.4 mt 59.01 24.38 12.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.123 -0.944 . . . . 15.0 110.988 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.423 ' CB ' HG23 ' A' ' 452' ' ' THR . 8.6 tp10 -99.4 138.21 36.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.191 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -113.06 119.62 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.47 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -129.82 144.49 51.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.251 -0.278 . . . . 15.0 110.251 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -85.98 -13.56 47.23 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.098 0.475 . . . . 15.0 110.77 -175.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.7 mt-10 -100.26 158.36 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.903 -173.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.06 108.79 28.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.219 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 69.7 Cg_endo -84.63 -179.74 3.94 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.171 2.58 . . . . 15.0 112.023 -177.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.9 -9.49 15.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.105 0.478 . . . . 15.0 111.27 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -93.88 -9.05 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.253 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 28.4 tp -157.72 29.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 15.0 110.645 -172.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.617 -0.706 . . . . 15.0 110.958 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.291 -0.324 . . . . 15.0 112.291 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.89 124.73 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 20.8 p -124.94 129.03 49.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.624 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 73.87 125.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.308 1.005 . . . . 15.0 112.454 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.8 p -160.25 140.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.519 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.5 p -96.12 -104.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.612 -0.267 . . . . 15.0 111.619 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.679 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 4.5 pt-20 -91.86 8.06 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.337 0.589 . . . . 15.0 110.535 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 11.5 m95 -96.57 150.39 20.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.69 -0.686 . . . . 15.0 110.615 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.7 m -120.44 101.45 7.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.493 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.91 150.5 22.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.887 0.851 . . . . 15.0 111.214 -176.472 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 77.8 m-85 -136.53 150.73 48.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 105.067 -2.198 . . . . 15.0 105.067 -169.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.015 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -119.06 139.7 51.3 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.341 -1.744 . . . . 15.0 112.477 -175.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.518 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.3 p -89.96 150.3 22.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.963 -1.017 . . . . 15.0 109.91 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.15 40.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.816 0.673 . . . . 15.0 112.816 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.45 ' CG ' ' HZ1' ' A' ' 444' ' ' LYS . 3.3 p-10 -73.22 -2.26 21.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.661 0.267 . . . . 15.0 111.655 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 55.9 1.92 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.987 -0.625 . . . . 15.0 112.625 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.518 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.263 31.4 mtmm -138.81 134.47 33.44 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 178.336 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.015 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 8.8 t -96.6 149.97 21.18 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 119.19 -1.004 . . . . 15.0 109.265 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.607 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -135.87 123.99 23.0 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.726 -0.842 . . . . 15.0 108.726 170.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 91.2 m-85 -89.68 119.43 30.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.186 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 4.6 t80 -92.79 119.43 32.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.886 -0.597 . . . . 15.0 109.432 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.452 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.6 t-20 -89.64 113.06 24.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.207 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -71.88 -6.72 43.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.733 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.679 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 40.2 ttp180 -79.28 -26.53 42.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.392 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.554 HG22 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -136.33 5.76 3.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.447 0.642 . . . . 15.0 109.766 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.1 mt 64.31 17.94 11.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.912 -1.04 . . . . 15.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.554 ' HB2' HG22 ' A' ' 452' ' ' THR . 50.0 mt-10 -110.7 130.97 55.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.663 -174.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 23.3 t -104.76 135.76 45.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.433 . . . . 15.0 110.483 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -137.36 146.04 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.811 -0.441 . . . . 15.0 109.811 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.6 m95 -79.01 -24.42 43.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.183 0.516 . . . . 15.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -87.44 123.39 32.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.836 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.23 116.83 46.25 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.582 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 96.8 Cg_endo -81.67 -175.67 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.799 2.333 . . . . 15.0 111.898 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -61.82 -14.51 33.82 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.69 -29.19 69.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 15.0 111.097 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.7 tp -128.72 5.33 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.566 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 27.0 mtpp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 15.0 110.805 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.114 -0.395 . . . . 15.0 112.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -79.77 125.23 29.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.651 0.226 . . . . 15.0 110.589 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 33.5 m -75.85 82.03 2.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.469 0.652 . . . . 15.0 110.845 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -149.0 116.58 6.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.526 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.1 m -98.0 138.2 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.314 0.578 . . . . 15.0 111.738 -176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 435' ' ' TRP . 31.8 p -114.65 10.77 16.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.343 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.652 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 -71.28 8.62 0.96 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.643 -1.162 . . . . 15.0 111.033 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 14.4 m95 -128.27 150.09 50.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.12 0.486 . . . . 15.0 111.0 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 28.3 m -132.12 114.26 14.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.82 -0.807 . . . . 15.0 108.82 171.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.416 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -90.15 150.76 21.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.97 0.891 . . . . 15.0 111.524 -177.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -137.46 150.49 47.63 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 105.717 -1.956 . . . . 15.0 105.717 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.01 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -120.15 139.07 53.16 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 117.54 -1.664 . . . . 15.0 112.421 -174.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.481 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.8 p -89.94 150.29 22.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.507 -1.224 . . . . 15.0 110.298 175.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.57 -29.91 18.94 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -78.04 -1.66 33.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 59.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.679 -0.772 . . . . 15.0 112.641 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.481 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 49.6 mtmt -144.84 132.76 21.31 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 122.432 0.293 . . . . 15.0 111.338 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 1.01 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 7.5 t -95.2 150.04 20.65 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 118.781 -1.168 . . . . 15.0 109.174 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.59 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -135.83 127.49 28.99 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 455' ' ' SER . 66.9 m-85 -89.65 116.8 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.527 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.545 ' HE1' ' OD1' ' A' ' 450' ' ' ASN . 4.8 t80 -92.98 120.14 32.97 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.258 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.652 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 3.8 t-20 -98.15 116.4 30.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.376 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.545 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 3.7 m-80 -69.1 -17.85 63.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.337 0.589 . . . . 15.0 110.46 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.461 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 38.2 ttp180 -69.6 -26.64 64.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.38 -0.827 . . . . 15.0 112.0 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 454' ' ' GLU . 5.6 t -140.8 6.77 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 15.0 110.15 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.7 mt 63.34 20.51 12.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.453 ' HB3' HG22 ' A' ' 452' ' ' THR . 40.0 tt0 -100.24 124.86 46.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.2 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 6.5 m -106.24 117.88 35.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.491 177.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -128.65 145.52 51.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.314 . . . . 15.0 110.402 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.6 m95 -81.57 -14.72 56.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.275 -0.421 . . . . 15.0 111.937 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -106.82 135.45 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.832 0.348 . . . . 15.0 111.055 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -57.79 127.03 78.12 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.681 -0.69 . . . . 15.0 112.468 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.445 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 60.4 Cg_endo -72.05 167.44 26.75 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.803 2.335 . . . . 15.0 111.391 172.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.94 -15.97 64.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.214 0.531 . . . . 15.0 110.554 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.61 -20.77 56.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.125 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -113.49 -9.02 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.915 -169.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 2.0 ttpm? . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.527 -0.749 . . . . 15.0 109.957 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.538 -0.225 . . . . 15.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.15 40.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.735 0.302 . . . . 15.0 110.271 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 22.3 m 73.5 -61.46 0.5 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.485 -0.78 . . . . 15.0 111.119 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -87.16 84.38 7.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.031 0.443 . . . . 15.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 435' ' ' TRP . 12.7 p -135.85 151.08 28.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.444 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.1 p -111.48 -90.15 0.49 Allowed 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.478 0.548 . . . . 15.0 112.478 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.09 12.33 2.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 15.0 111.857 -172.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.473 ' HZ2' ' HG3' ' A' ' 462' ' ' GLU . 11.6 m95 -122.44 150.16 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.184 0.516 . . . . 15.0 111.442 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.8 m -128.9 112.8 14.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.168 -0.924 . . . . 15.0 108.916 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.7 pt-20 -90.01 150.18 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.4 0.619 . . . . 15.0 110.362 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 59.0 m-85 -135.85 150.4 49.37 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 105.356 -2.09 . . . . 15.0 105.356 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.984 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.8 OUTLIER -120.92 140.41 51.87 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 117.616 -1.633 . . . . 15.0 112.594 -176.292 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.713 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 40.5 p -90.1 150.27 22.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.206 168.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.05 21.03 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.319 0.859 . . . . 15.0 113.319 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.04 1.53 17.69 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.872 0.323 . . . . 15.0 111.872 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.54 4.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.671 -0.776 . . . . 15.0 112.644 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.713 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.8 mmtm -122.24 120.65 34.78 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 119.261 -0.399 . . . . 15.0 111.794 177.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.984 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.3 t -96.88 150.07 21.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 117.519 -1.672 . . . . 15.0 108.46 174.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 1.1 p90 -136.06 125.18 24.46 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.161 0.505 . . . . 15.0 109.875 172.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.65 115.42 27.02 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.432 -174.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.9 t80 -93.34 120.26 33.41 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.991 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.436 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.8 t-20 -89.94 113.85 25.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.088 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.17 -8.66 47.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 15.0 111.041 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.436 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 59.2 ttp180 -83.11 -21.91 33.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.695 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.595 HG21 ' HB3' ' A' ' 454' ' ' GLU . 5.2 t -136.25 4.27 2.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.995 0.426 . . . . 15.0 110.069 -178.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.6 mt 61.7 19.32 10.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.234 -0.893 . . . . 15.0 110.383 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' A' ' 452' ' ' THR . 43.2 tt0 -112.01 129.56 56.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.998 -0.547 . . . . 15.0 111.324 -172.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 26.3 t -110.16 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.961 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.72 137.74 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 4.3 m95 -78.66 -21.74 47.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.536 0.684 . . . . 15.0 109.893 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.42 137.04 36.08 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 46.7 mtpt -54.9 116.55 11.51 Favored Pre-proline 0 C--O 1.233 0.229 0 O-C-N 123.66 0.6 . . . . 15.0 111.799 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.19 161.18 29.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.831 2.354 . . . . 15.0 111.409 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.81 -17.21 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.407 0.622 . . . . 15.0 110.4 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.473 ' HG3' ' HZ2' ' A' ' 435' ' ' TRP . 10.2 mm-40 -71.16 -14.94 62.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.314 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.4 tp -137.65 16.62 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 15.0 110.355 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.511 -0.757 . . . . 15.0 110.645 -177.805 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.751 -0.539 . . . . 15.0 111.751 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.09 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.817 0.341 . . . . 15.0 110.97 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.5 m -138.27 95.4 3.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.212 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 462' ' ' GLU . . . -112.6 44.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.288 0.566 . . . . 15.0 110.576 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.31 139.91 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.314 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.0 m 75.46 4.89 4.08 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.851 0.72 . . . . 15.0 112.404 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -81.7 -2.79 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.18 -1.045 . . . . 15.0 108.18 172.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.57 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 16.0 m95 -121.59 150.04 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.604 -1.18 . . . . 15.0 110.367 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 31.2 m -126.72 113.83 17.18 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 173.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 4.8 pt-20 -89.74 150.17 22.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.616 0.722 . . . . 15.0 110.285 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 94.2 m-85 -134.73 150.35 50.57 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 105.329 -2.1 . . . . 15.0 105.329 -172.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.48 145.28 46.44 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 117.658 -1.617 . . . . 15.0 112.26 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -90.06 150.17 22.2 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.1 171.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.95 60.84 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.193 0.442 . . . . 15.0 112.193 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -77.84 1.77 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.367 -0.378 . . . . 15.0 111.931 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 61.59 1.34 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.728 -0.748 . . . . 15.0 113.093 173.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.566 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.1 mmmm -144.32 125.37 14.47 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 119.461 -0.304 . . . . 15.0 111.501 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 4.8 t -96.93 150.2 21.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.186 -1.406 . . . . 15.0 108.74 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.32 128.02 23.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.022 0.439 . . . . 15.0 110.066 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -89.84 116.41 27.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.048 -172.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -91.14 122.27 33.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.193 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 4.6 t-20 -96.49 124.88 40.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.261 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.54 -26.14 57.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.335 0.588 . . . . 15.0 110.341 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -66.71 -22.5 66.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.102 -0.954 . . . . 15.0 112.817 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.505 HG21 ' HB3' ' A' ' 454' ' ' GLU . 9.8 t -136.06 4.98 3.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.99 21.55 9.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.632 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.505 ' HB3' HG21 ' A' ' 452' ' ' THR . 8.9 tp10 -113.42 141.06 47.53 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.261 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 20.7 t -111.36 125.29 53.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.069 0.461 . . . . 15.0 110.629 -176.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.69 133.98 54.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.5 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.1 m95 -70.48 -21.62 62.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.678 . . . . 15.0 110.094 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.25 136.43 33.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.67 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -75.04 125.33 89.38 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 15.0 111.702 -174.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.57 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 84.7 Cg_endo -75.07 161.54 38.39 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.372 2.715 . . . . 15.0 112.227 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -66.19 -21.99 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.296 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 431' ' ' ALA . 1.9 mp0 -70.42 -16.22 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.358 . . . . 15.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.5 tp -127.16 4.5 6.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.258 0.552 . . . . 15.0 110.31 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 10.9 tptp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.467 -0.777 . . . . 15.0 110.96 -177.478 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.467 ' HG3' ' HG3' ' A' ' 451' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.07 0.462 . . . . 15.0 110.69 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.435 ' CH2' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 -99.07 150.08 22.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.158 0.504 . . . . 15.0 110.754 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 5.2 m -124.22 110.8 15.1 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.57 -0.9 . . . . 15.0 108.57 173.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 2.9 pt-20 -89.98 150.38 22.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.762 0.791 . . . . 15.0 110.616 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -134.99 150.35 50.33 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 105.435 -2.061 . . . . 15.0 105.435 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -122.55 140.14 53.12 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 117.568 -1.653 . . . . 15.0 112.325 -175.21 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 56.3 p -89.73 150.33 22.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.878 -1.056 . . . . 15.0 109.298 171.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.74 -29.97 55.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -172.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -78.16 3.41 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 58.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.672 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.62 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 64.3 mttm -141.51 124.06 15.89 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-O 119.577 -0.249 . . . . 15.0 111.372 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.995 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.59 150.05 21.09 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.567 -1.253 . . . . 15.0 109.397 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.2 p90 -137.53 125.09 22.15 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 171.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 84.8 m-85 -89.85 122.47 32.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.173 -173.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -101.85 119.79 39.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.428 -0.805 . . . . 15.0 109.86 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.435 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 26.8 t-20 -89.9 118.81 29.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.752 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -74.76 -5.04 41.13 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.611 0.597 . . . . 15.0 112.611 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HG3' ' HG3' ' A' ' 434' ' ' GLU . 14.5 mtm180 -80.41 -44.75 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.768 -0.373 . . . . 15.0 110.433 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.2 t -122.15 7.61 9.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.56 0.695 . . . . 15.0 109.937 -175.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 39.8 mt 64.21 20.32 12.13 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.054 -0.976 . . . . 15.0 110.882 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' A' ' 452' ' ' THR . 33.0 mt-10 -93.2 123.57 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 15.0 112.002 -171.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 11.4 p -102.78 122.63 44.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.047 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -137.6 142.13 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 15.0 110.111 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.7 m95 -74.61 -25.42 59.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.196 0.522 . . . . 15.0 110.677 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -84.91 131.13 34.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.078 -172.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -60.96 117.34 24.69 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.033 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.91 159.07 39.77 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.559 2.839 . . . . 15.0 112.542 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.46 -29.15 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 15.0 111.184 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.8 -12.37 60.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 15.0 111.196 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.9 tp -129.31 17.96 5.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.474 0.654 . . . . 15.0 110.208 -175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.452 -0.785 . . . . 15.0 109.764 -179.055 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 121.548 0.69 . . . . 15.0 110.2 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.1 m95 -110.84 150.18 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.394 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.3 m -126.51 123.85 38.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.257 173.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -98.8 150.78 21.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.994 0.902 . . . . 15.0 112.385 -176.288 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -137.5 150.62 47.69 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.883 -1.895 . . . . 15.0 105.883 -167.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.0 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -118.12 141.68 48.23 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 117.71 -1.596 . . . . 15.0 112.857 -175.433 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.599 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 37.8 p -90.31 150.3 21.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.968 -1.014 . . . . 15.0 109.962 170.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.66 -29.88 53.8 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.34 3.2 18.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 64.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.425 -0.893 . . . . 15.0 112.714 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.599 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 48.6 mttp -149.3 123.62 9.6 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 119.531 -0.271 . . . . 15.0 111.619 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.0 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.9 t -92.8 140.52 29.43 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.032 -1.467 . . . . 15.0 108.753 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.559 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.1 p90 -126.81 127.61 45.28 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 57.4 m-85 -89.67 125.33 35.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.375 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 436' ' ' THR . 4.0 t80 -106.35 121.96 45.28 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.991 -176.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.45 ' OD1' HG22 ' A' ' 452' ' ' THR . 27.0 t-20 -91.35 131.41 36.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.217 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.406 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 44.5 m-80 -84.53 -23.78 29.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 15.0 111.508 -174.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 451' ' ' ARG . 10.1 ttp180 -75.74 -36.47 59.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.722 -0.672 . . . . 15.0 112.389 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.45 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.3 t -126.79 10.8 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.768 0.318 . . . . 15.0 110.547 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.9 mt 59.32 30.49 20.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.719 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.416 ' HB2' HG23 ' A' ' 452' ' ' THR . 40.9 tt0 -95.96 111.73 23.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.57 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 7.9 p -102.55 120.79 41.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.779 0.324 . . . . 15.0 110.541 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.94 150.03 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.379 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.2 m95 -84.57 -11.81 55.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.383 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -97.89 155.12 17.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.954 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 65.3 mttt -76.05 124.88 88.52 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.084 0.469 . . . . 15.0 111.875 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -85.42 -174.15 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.21 2.607 . . . . 15.0 111.793 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -75.15 -17.89 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.292 0.568 . . . . 15.0 110.564 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.54 0.8 57.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 15.0 112.079 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 19.3 tp -154.41 23.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.014 0.435 . . . . 15.0 110.903 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.3 ttpm? . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.807 -0.633 . . . . 15.0 111.124 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.419 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 56.9 mt-10 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.918 0.389 . . . . 15.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.513 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 3.6 m95 -118.64 150.11 40.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.274 0.559 . . . . 15.0 110.518 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.5 m -132.1 119.16 20.58 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.369 -0.832 . . . . 15.0 109.052 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.62 150.3 22.44 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.444 0.64 . . . . 15.0 110.01 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -137.99 150.26 46.83 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 105.484 -2.043 . . . . 15.0 105.484 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.947 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -116.67 142.43 46.91 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 117.626 -1.629 . . . . 15.0 112.679 -176.364 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.0 p -89.87 150.28 22.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.532 -1.213 . . . . 15.0 109.623 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.84 60.25 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.656 0.382 . . . . 15.0 111.684 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -74.58 -1.5 21.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.452 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 53.57 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.829 -0.701 . . . . 15.0 113.359 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.556 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 59.2 mttp -136.24 129.85 32.19 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 111.64 0.237 . . . . 15.0 111.64 177.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.947 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.2 t -95.86 150.04 20.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.15 -1.42 . . . . 15.0 108.682 174.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 3.6 p90 -142.63 128.41 19.33 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.265 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.419 -174.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 10.9 t80 -96.85 118.78 34.03 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.018 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 4.7 t-20 -91.36 118.98 30.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.653 -0.249 . . . . 15.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -75.22 -7.0 52.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.102 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 44.6 ttp180 -83.05 -26.0 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.338 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.493 HG23 ' CB ' ' A' ' 454' ' ' GLU . 8.9 t -142.2 11.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.557 . . . . 15.0 110.02 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.0 mt 57.87 26.44 13.28 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.3 -0.864 . . . . 15.0 110.803 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.493 ' CB ' HG23 ' A' ' 452' ' ' THR . 31.4 tt0 -107.62 135.66 48.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.657 -172.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -115.03 124.37 51.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.239 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -128.73 138.19 51.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.9 0.381 . . . . 15.0 110.004 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.438 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.6 m95 -77.22 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 15.0 109.972 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.89 149.19 22.15 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.993 -1.003 . . . . 15.0 110.427 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.2 120.21 79.08 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.118 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.72 161.43 28.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.441 2.761 . . . . 15.0 112.846 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.37 -17.11 62.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.275 0.559 . . . . 15.0 110.761 -177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.87 -5.25 53.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.194 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 463' ' ' LEU . 30.0 tp -131.48 4.98 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.843 -175.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.401 -0.809 . . . . 15.0 110.462 -177.227 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.548 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 66.4 mt-10 . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 121.183 0.516 . . . . 15.0 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.556 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.0 m95 -111.54 148.49 33.11 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.202 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 19.2 m -129.76 112.28 13.46 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.624 -0.88 . . . . 15.0 108.624 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -90.08 150.53 22.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.849 0.833 . . . . 15.0 111.204 -175.671 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -137.58 150.73 47.68 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 105.452 -2.055 . . . . 15.0 105.452 -167.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.987 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.01 143.64 47.95 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 117.723 -1.591 . . . . 15.0 112.387 -171.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 41.7 p -89.67 150.27 22.42 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.945 -1.025 . . . . 15.0 109.448 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.24 -30.06 48.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.686 0.625 . . . . 15.0 112.686 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -80.71 2.66 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.676 -0.238 . . . . 15.0 111.562 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 62.18 1.29 Allowed Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.989 -0.624 . . . . 15.0 113.384 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.631 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.9 mttt -146.18 128.38 15.72 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 111.69 0.256 . . . . 15.0 111.69 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.987 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.2 t -96.22 150.01 21.01 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.643 -1.223 . . . . 15.0 109.216 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -138.17 126.9 23.68 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 109.236 -0.654 . . . . 15.0 109.236 172.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.71 118.05 29.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.733 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.487 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.4 t80 -96.51 120.57 37.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.383 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 21.8 t-20 -97.8 128.22 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 15.0 111.272 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -80.01 -2.13 42.76 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.838 0.681 . . . . 15.0 112.838 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.548 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 31.3 mtm-85 -86.91 -27.32 23.44 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.593 -0.443 . . . . 15.0 111.194 -178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.3 t -132.02 5.05 4.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.728 -0.471 . . . . 15.0 109.728 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 66.7 mt 59.69 24.57 13.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.228 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -108.27 137.5 46.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.795 -172.012 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 t -110.65 128.56 55.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.593 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -126.6 138.2 53.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -75.75 -17.89 59.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 15.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -84.85 134.59 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.135 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.3 tttt -67.1 121.79 79.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.28 -173.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.713 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 53.0 Cg_endo -69.07 157.11 63.02 Favored 'Trans proline' 0 CA--C 1.521 -0.154 0 C-N-CA 123.108 2.539 . . . . 15.0 111.961 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.637 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 21.3 tt0 -84.0 -11.68 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.036 0.446 . . . . 15.0 110.688 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.02 -2.01 57.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 15.0 109.77 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.713 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -139.81 14.89 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.553 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.4 ttpt . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.426 -0.797 . . . . 15.0 110.452 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.774 0.321 . . . . 15.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -100.74 147.82 25.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.237 0.541 . . . . 15.0 110.739 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 m -125.34 116.87 22.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.817 -0.809 . . . . 15.0 108.817 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -89.79 150.27 22.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.889 0.852 . . . . 15.0 110.911 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.15 150.58 49.13 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 105.423 -2.065 . . . . 15.0 105.423 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.001 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -121.42 142.17 50.28 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.648 -1.621 . . . . 15.0 112.46 -175.278 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.61 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 47.7 p -89.73 150.37 22.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.88 -1.054 . . . . 15.0 109.656 172.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.56 -29.89 27.88 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.663 0.616 . . . . 15.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.82 0.46 26.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.708 0.289 . . . . 15.0 111.477 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 53.44 2.35 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.911 -0.661 . . . . 15.0 113.097 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.61 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.27 23.9 mttm -132.29 129.76 39.97 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 119.435 -0.317 . . . . 15.0 111.715 177.115 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.001 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.6 t -96.62 150.23 20.9 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 118.031 -1.467 . . . . 15.0 108.92 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.5 p90 -142.02 128.8 20.5 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.027 0.441 . . . . 15.0 109.93 173.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -89.86 121.71 32.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.378 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 0.2 OUTLIER -102.71 123.39 46.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 15.0 110.078 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.576 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 20.7 t-20 -89.95 118.56 29.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.782 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -72.5 -6.78 46.17 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.063 0.394 . . . . 15.0 112.063 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.576 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.2 ttp180 -82.84 -23.72 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 15.0 111.049 -175.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -147.69 9.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 15.0 111.104 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.9 mt 62.06 28.44 17.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.678 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.484 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.1 tp10 -95.2 118.23 31.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.513 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 39.2 t -107.54 126.66 52.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.635 0.255 . . . . 15.0 110.602 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -146.36 142.33 28.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 15.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 2.2 m95 -72.19 -30.87 65.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.427 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -76.31 126.52 31.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.406 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -51.24 118.33 10.52 Favored Pre-proline 0 C--O 1.234 0.241 0 O-C-N 123.841 0.713 . . . . 15.0 111.06 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.485 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 27.4 Cg_endo -62.6 144.37 94.21 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.1 2.533 . . . . 15.0 113.067 -175.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.58 -15.08 62.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.934 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -81.07 -8.96 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.197 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.485 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -144.06 23.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.404 -174.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.129 -0.938 . . . . 15.0 111.196 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 6.1 tp10 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.313 0.578 . . . . 15.0 110.463 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 23.5 m95 -113.67 149.73 34.24 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.276 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.0 m -132.74 121.24 22.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.223 -0.899 . . . . 15.0 108.833 171.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -89.76 150.52 22.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 15.0 111.633 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -136.32 150.51 48.91 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 105.78 -1.933 . . . . 15.0 105.78 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.981 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.6 141.86 49.92 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 117.631 -1.628 . . . . 15.0 112.62 -174.003 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.715 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.2 p -90.15 150.14 22.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.979 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.45 -30.26 39.7 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.036 0.754 . . . . 15.0 113.036 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.5 -1.57 31.12 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.93 0.344 . . . . 15.0 111.93 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 65.13 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.556 -0.83 . . . . 15.0 112.416 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.715 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 95.7 mttt -145.03 125.43 13.92 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 122.703 0.401 . . . . 15.0 111.209 177.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.981 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.8 t -94.57 150.06 20.62 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.005 -1.478 . . . . 15.0 108.812 174.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.511 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 3.1 p90 -142.54 132.03 23.73 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.723 -0.473 . . . . 15.0 109.723 173.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -89.79 122.19 32.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.173 -170.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 2.6 t80 -95.45 121.15 36.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.399 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.525 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 19.4 t-20 -98.39 121.42 40.31 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.401 -177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.92 -12.25 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.613 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.525 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.4 ttp180 -71.52 -26.85 62.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.266 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.486 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -146.4 11.69 1.16 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.967 0.413 . . . . 15.0 110.332 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 62.17 24.23 14.4 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.351 -0.841 . . . . 15.0 111.605 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB2' HG23 ' A' ' 452' ' ' THR . 58.9 mm-40 -101.42 131.16 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.225 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -117.29 124.56 49.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.524 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -142.34 150.34 40.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.472 . . . . 15.0 110.367 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.1 m95 -71.29 -7.5 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.967 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.9 136.08 33.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.609 0.242 . . . . 15.0 110.985 -172.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -61.85 117.4 28.39 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.246 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 143.97 28.3 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.472 2.781 . . . . 15.0 112.852 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -63.57 -29.01 70.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 15.0 109.955 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.64 -9.85 59.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.916 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.78 16.32 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 15.0 110.621 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.751 -0.642 . . . . 15.0 111.097 -175.493 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.414 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 23.4 tt0 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 121.62 0.724 . . . . 15.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -107.72 149.95 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.696 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.2 m -126.41 114.85 18.74 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.974 -0.75 . . . . 15.0 108.974 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -90.03 150.72 21.99 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.803 0.811 . . . . 15.0 110.873 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 74.5 m-85 -136.94 150.46 48.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 105.396 -2.075 . . . . 15.0 105.396 -171.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.976 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.22 138.18 53.78 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 117.644 -1.622 . . . . 15.0 112.245 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 69.1 p -89.76 150.05 22.45 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.785 174.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.16 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.67 0.619 . . . . 15.0 112.67 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.45 1.18 17.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.845 0.313 . . . . 15.0 111.845 -177.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 15.0 112.808 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.605 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.271 30.1 mmmt -139.61 129.98 25.46 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 119.166 -0.445 . . . . 15.0 111.537 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.976 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.0 t -96.9 150.09 21.14 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.282 -1.367 . . . . 15.0 108.365 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.475 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -137.47 124.97 22.07 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 67.1 m-85 -89.89 116.17 27.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.296 -0.866 . . . . 15.0 109.463 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.7 t80 -97.96 117.65 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.757 -175.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 23.3 t-20 -90.05 115.65 27.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.268 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -75.33 -0.55 20.12 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.977 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 41.6 ttp-105 -90.04 -26.63 20.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.626 -0.261 . . . . 15.0 111.375 -175.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.678 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.7 t -137.24 11.19 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.11 0.481 . . . . 15.0 110.313 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 56.7 mt 63.46 20.12 12.07 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.032 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG23 ' A' ' 452' ' ' THR . 34.6 mm-40 -98.79 128.43 45.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.01 0.374 . . . . 15.0 112.01 -172.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.2 t -101.14 125.57 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 15.0 109.819 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -131.63 140.41 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.0 m95 -90.16 -8.99 49.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 15.0 110.673 -173.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.4 142.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.687 -173.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -64.03 115.31 18.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 15.0 112.296 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 92.1 Cg_endo -79.86 172.96 13.4 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.927 2.418 . . . . 15.0 111.139 174.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.62 -15.32 63.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.004 0.43 . . . . 15.0 111.532 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG2' ' H ' ' A' ' 462' ' ' GLU . 3.6 pt-20 -96.2 8.3 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.379 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 20.3 tp -157.46 24.87 0.29 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.727 -0.389 . . . . 15.0 111.53 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.993 -1.003 . . . . 15.0 110.831 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.075 0.464 . . . . 15.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -89.73 146.44 24.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.522 0.677 . . . . 15.0 110.242 -175.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 4.1 m -119.14 105.57 11.52 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.129 -0.941 . . . . 15.0 109.161 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.83 150.51 22.21 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.622 0.725 . . . . 15.0 110.377 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -134.9 150.36 50.42 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.064 -2.199 . . . . 15.0 105.064 -170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.967 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.07 137.37 54.84 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 117.364 -1.735 . . . . 15.0 111.892 -177.183 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.789 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 74.7 p -89.78 150.23 22.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.756 -1.111 . . . . 15.0 110.146 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.93 -29.55 29.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.812 1.041 . . . . 15.0 113.812 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.92 5.37 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 15.0 111.497 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 53.95 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.923 -0.656 . . . . 15.0 112.13 176.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.789 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 23.5 mmtp -134.84 129.15 34.02 Favored 'General case' 0 CA--C 1.478 -1.816 0 N-CA-C 112.933 0.716 . . . . 15.0 112.933 -176.323 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.967 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 m -99.73 150.1 22.66 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.526 -0.869 . . . . 15.0 109.139 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.4 OUTLIER -143.53 123.99 13.95 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.471 -0.566 . . . . 15.0 109.471 167.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 71.4 m-85 -89.76 124.08 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.351 -0.841 . . . . 15.0 109.545 -173.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.525 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.3 t80 -104.24 124.28 48.85 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.607 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.77 118.75 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.951 -0.568 . . . . 15.0 109.835 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.0 -11.18 60.65 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -78.28 -26.03 46.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 15.0 111.652 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.3 t -140.73 6.62 2.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.446 0.641 . . . . 15.0 109.605 -176.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 63.35 21.02 12.59 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.165 -0.925 . . . . 15.0 110.898 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.525 ' HB2' HG23 ' A' ' 452' ' ' THR . 79.9 mm-40 -107.18 134.41 50.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.403 -173.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.425 ' HB3' ' HB2' ' A' ' 448' ' ' TYR . 18.0 p -125.4 133.18 52.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.738 0.304 . . . . 15.0 111.621 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -135.41 149.97 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.627 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.5 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 1.7 m95 -81.86 -7.7 59.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.244 -0.434 . . . . 15.0 111.385 -174.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.04 111.89 24.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.031 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.701 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 14.6 ttmm -35.43 110.51 0.42 Allowed Pre-proline 0 N--CA 1.469 0.497 0 O-C-N 124.419 1.074 . . . . 15.0 112.822 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 35.1 Cg_endo -65.08 153.16 79.64 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.486 2.791 . . . . 15.0 112.644 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.44 -29.3 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.559 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -75.64 -7.88 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 15.0 111.278 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.7 tp -143.92 22.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 15.0 109.725 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.701 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 25.1 ttmm . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.206 -0.902 . . . . 15.0 110.373 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.883 0.373 . . . . 15.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 7.8 m95 -110.51 150.18 29.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.262 0.554 . . . . 15.0 111.728 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 27.4 m -133.85 118.06 17.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.29 -0.868 . . . . 15.0 108.939 173.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.3 OUTLIER -89.89 150.66 22.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.004 0.907 . . . . 15.0 111.51 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -134.31 150.36 50.96 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 105.101 -2.185 . . . . 15.0 105.101 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.41 145.27 48.44 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.647 -1.621 . . . . 15.0 112.401 -175.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 59.0 p -89.91 150.15 22.31 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.544 -1.207 . . . . 15.0 109.023 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.41 -29.52 35.42 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.181 0.437 . . . . 15.0 112.181 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.38 4.57 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.246 0.461 . . . . 15.0 112.246 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 40.76 5.8 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.88 -0.676 . . . . 15.0 113.808 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.543 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 52.8 mtpt -124.59 128.1 48.39 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 t -98.25 150.07 21.92 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.065 -1.054 . . . . 15.0 110.003 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -138.07 126.04 22.67 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.491 -0.559 . . . . 15.0 109.491 171.377 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -89.63 115.2 26.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.829 -0.623 . . . . 15.0 109.525 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.1 t80 -94.86 121.21 36.22 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.529 -0.76 . . . . 15.0 110.182 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.417 ' OD1' HG22 ' A' ' 452' ' ' THR . 24.3 t-20 -89.92 115.44 27.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.838 0.351 . . . . 15.0 110.331 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -74.67 -3.26 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.488 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -88.32 -22.3 23.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.586 -0.279 . . . . 15.0 111.23 -175.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.0 t -138.86 8.76 2.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.514 0.673 . . . . 15.0 109.386 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.7 mt 64.32 20.11 12.04 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.654 -1.157 . . . . 15.0 110.956 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.549 ' HB2' HG23 ' A' ' 452' ' ' THR . 45.7 mt-10 -110.62 129.31 55.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 15.0 111.842 -174.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 3.0 p -109.52 131.78 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.58 . . . . 15.0 111.729 -177.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.69 142.85 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.66 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.4 m95 -69.92 -27.14 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.742 0.306 . . . . 15.0 111.584 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.39 144.72 27.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.229 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.4 112.64 10.71 Favored Pre-proline 0 C--O 1.234 0.255 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.111 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -71.99 150.65 55.11 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.017 2.478 . . . . 15.0 113.013 -173.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -62.14 -21.67 65.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.68 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.13 -2.38 37.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.813 -0.631 . . . . 15.0 110.182 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.422 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -147.89 29.84 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.444 -0.947 . . . . 15.0 108.444 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.914 -1.039 . . . . 15.0 112.117 -174.82 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 112.06 0.393 . . . . 15.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.476 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 10.8 m95 -113.67 150.11 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.279 0.562 . . . . 15.0 111.824 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.4 m -135.97 121.97 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.739 172.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 3.2 pt-20 -89.81 150.5 22.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.755 0.788 . . . . 15.0 111.076 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -138.34 150.35 46.51 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.317 -2.105 . . . . 15.0 105.317 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.015 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -121.66 140.23 52.55 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.84 -1.544 . . . . 15.0 112.954 -174.035 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.435 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 18.9 p -89.97 150.18 22.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.406 170.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.47 -29.83 37.76 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.944 0.72 . . . . 15.0 112.944 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.427 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.9 p-10 -73.18 -1.0 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 15.0 111.683 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 41.96 5.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.979 -0.629 . . . . 15.0 113.44 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.435 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 5.9 mtmp? -123.5 131.26 53.59 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 111.39 0.144 . . . . 15.0 111.39 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.015 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.06 149.99 20.98 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.869 -1.133 . . . . 15.0 108.825 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.475 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -136.67 127.15 26.77 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 39.3 m-85 -89.78 116.43 27.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.417 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.5 t80 -93.12 118.63 31.44 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.088 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 452' ' ' THR . 22.0 t-20 -91.01 115.78 28.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.154 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -72.76 -5.59 38.95 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.86 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.418 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 43.6 ttp180 -89.0 -27.45 20.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.679 0.276 . . . . 15.0 111.498 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.919 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.4 t -135.63 9.56 3.38 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.063 0.459 . . . . 15.0 110.161 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.9 mt 64.04 20.84 12.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.359 -0.837 . . . . 15.0 111.072 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.919 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -97.37 123.03 41.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.462 -172.017 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 m -109.02 119.47 39.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.428 -0.351 . . . . 15.0 110.379 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -132.31 143.04 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.243 -0.28 . . . . 15.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.8 m95 -73.92 -18.26 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 15.0 110.874 -176.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -105.91 120.33 41.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.147 0.498 . . . . 15.0 111.098 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.909 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 16.6 ptpt -69.09 128.01 92.82 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.241 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.28 -171.52 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.008 2.472 . . . . 15.0 111.295 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.411 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 5.8 tp-100 -65.67 -12.61 55.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.117 0.484 . . . . 15.0 110.864 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.72 -18.77 61.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 15.0 111.897 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 17.7 tp -147.02 15.7 1.19 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 15.0 111.426 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.909 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 15.1 ttpp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.346 -0.835 . . . . 15.0 110.671 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.915 0.388 . . . . 15.0 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -112.07 144.6 41.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.522 0.677 . . . . 15.0 111.595 -171.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 6.3 m -126.49 109.89 12.67 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.6 -1.182 . . . . 15.0 108.018 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.03 150.71 21.98 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.671 0.748 . . . . 15.0 111.32 -176.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -137.23 150.29 47.76 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 103.91 -2.626 . . . . 15.0 103.91 -169.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.994 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.6 OUTLIER -111.89 148.08 34.44 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 116.914 -1.914 . . . . 15.0 111.298 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.42 150.01 22.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.53 -1.214 . . . . 15.0 108.947 169.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.06 -30.06 46.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD1' ' HD3' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -77.05 5.24 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.414 -179.137 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.62 64.13 1.78 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.903 -0.665 . . . . 15.0 112.897 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.55 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 22.8 mtpt -151.93 126.04 9.21 Favored 'General case' 0 CA--C 1.478 -1.818 0 C-N-CA 122.595 0.358 . . . . 15.0 111.022 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.994 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 m -90.03 147.88 23.4 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 108.482 -0.933 . . . . 15.0 108.482 -176.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.494 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.6 OUTLIER -137.24 126.06 24.05 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.267 0.556 . . . . 15.0 109.742 170.498 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.8 121.63 32.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.501 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.0 t80 -105.35 118.53 36.8 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.949 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.694 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 23.0 t-20 -89.92 121.0 31.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 15.0 110.288 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -78.88 -0.26 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.995 0.739 . . . . 15.0 112.995 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.694 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 11.8 ptt180 -102.82 -10.78 18.8 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.999 -0.68 . . . . 15.0 111.358 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.47 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.2 t -140.89 6.16 1.99 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.241 -0.651 . . . . 15.0 109.241 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 40.2 mt 61.02 20.21 10.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.094 -0.957 . . . . 15.0 111.052 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.469 ' CB ' HG23 ' A' ' 452' ' ' THR . 30.9 tt0 -95.74 125.78 40.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 15.0 111.471 -170.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 m -111.26 134.54 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.89 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.08 144.49 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.116 -0.327 . . . . 15.0 110.116 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.3 m95 -78.02 -24.24 47.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.112 0.482 . . . . 15.0 110.891 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.89 139.24 30.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.204 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 459' ' ' LYS . 18.3 ptpt -65.37 123.86 85.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.219 0.533 . . . . 15.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.36 166.27 28.88 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.594 2.196 . . . . 15.0 111.493 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.72 -13.15 29.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.296 0.569 . . . . 15.0 110.648 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.73 -11.58 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.298 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.7 tp -127.16 19.74 6.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.785 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.584 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.876 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 5.6 tp10 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.009 0.433 . . . . 15.0 110.526 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.549 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 4.3 m95 -119.47 150.15 40.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.548 0.69 . . . . 15.0 110.943 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.4 m -136.26 124.72 23.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.961 -1.018 . . . . 15.0 108.667 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.93 150.25 22.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.538 0.685 . . . . 15.0 110.31 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -139.24 150.69 45.79 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.043 -2.206 . . . . 15.0 105.043 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.74 144.14 45.58 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 117.547 -1.661 . . . . 15.0 112.525 -174.552 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 38.7 p -89.83 150.18 22.35 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.629 -1.168 . . . . 15.0 109.138 170.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.86 30.28 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.185 0.809 . . . . 15.0 113.185 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.12 2.01 22.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.84 52.47 2.61 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.938 -0.648 . . . . 15.0 113.344 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.687 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 43.5 mttp -130.76 122.97 28.18 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 119.389 -0.339 . . . . 15.0 111.355 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.1 t -94.21 149.94 20.77 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 117.941 -1.504 . . . . 15.0 108.87 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.01 131.43 28.55 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.806 -0.442 . . . . 15.0 109.806 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -89.8 117.75 28.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.213 -0.662 . . . . 15.0 109.213 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.549 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.6 t80 -96.44 118.89 33.9 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.459 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.404 ' OD1' HG22 ' A' ' 452' ' ' THR . 25.9 t-20 -90.09 116.73 28.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.612 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.49 -11.18 60.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.965 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.876 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 31.6 mtm180 -78.78 -23.02 45.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -175.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 454' ' ' GLU . 8.0 t -141.55 8.09 1.95 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.389 0.614 . . . . 15.0 109.801 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 45.0 mt 63.66 20.64 12.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.505 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' A' ' 452' ' ' THR . 41.0 mt-10 -104.9 130.54 53.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.191 -175.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.0 t -120.23 124.3 45.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.598 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.72 150.32 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.105 0.479 . . . . 15.0 109.755 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.471 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.4 m95 -77.67 -2.7 37.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.216 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -95.56 132.07 41.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.518 -172.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -63.15 116.26 23.63 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.746 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.482 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 42.9 Cg_endo -68.01 166.08 26.01 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.925 2.417 . . . . 15.0 112.004 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.37 0.605 . . . . 15.0 110.621 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.88 -11.28 45.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.482 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -144.97 29.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.504 0.669 . . . . 15.0 109.889 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.081 -178.508 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.812 0.339 . . . . 15.0 111.609 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 8.5 m95 -89.67 148.19 23.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.616 -0.513 . . . . 15.0 109.616 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.0 m -121.21 111.37 17.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.789 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.579 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -89.83 150.58 22.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.66 0.743 . . . . 15.0 110.576 178.395 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 84.3 m-85 -135.38 150.25 49.87 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.309 -2.108 . . . . 15.0 105.309 -173.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.955 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.16 141.11 51.79 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 117.542 -1.663 . . . . 15.0 112.63 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.1 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.243 -1.344 . . . . 15.0 109.478 173.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.72 -29.85 29.16 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -174.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -82.11 3.33 27.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.913 0.338 . . . . 15.0 111.913 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 55.72 1.93 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.836 -0.697 . . . . 15.0 113.031 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.603 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.8 mtpp -135.22 126.12 27.54 Favored 'General case' 0 CA--C 1.483 -1.608 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.955 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 11.2 t -100.0 150.26 22.61 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.502 -1.279 . . . . 15.0 109.129 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.592 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.7 p90 -140.23 124.41 17.69 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.098 0.475 . . . . 15.0 110.077 172.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 47.2 m-85 -90.21 117.75 29.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.342 -0.845 . . . . 15.0 109.69 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.2 120.03 32.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.995 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' ' 452' ' ' THR . 4.0 t-20 -90.4 124.94 35.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.1 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -83.01 -12.29 57.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.705 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.414 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.1 ttp180 -69.63 -36.04 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.597 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.678 HG23 ' HB2' ' A' ' 454' ' ' GLU . 8.9 t -134.25 10.7 3.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.003 0.43 . . . . 15.0 110.153 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.4 mt 61.57 24.55 14.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.293 -0.867 . . . . 15.0 110.966 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG23 ' A' ' 452' ' ' THR . 23.3 mm-40 -105.53 130.59 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.897 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 p -99.75 127.37 45.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.684 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -137.46 140.24 41.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.773 0.32 . . . . 15.0 110.464 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.592 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.8 m95 -76.07 -16.33 59.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.326 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 458' ' ' GLU . 5.3 mm-40 -105.67 168.4 9.12 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.342 0.591 . . . . 15.0 112.038 -171.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.648 ' HD2' ' N ' ' A' ' 459' ' ' LYS . 6.7 mptt -94.01 120.15 66.03 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 15.0 111.533 -167.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.577 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 91.4 Cg_endo -76.76 -173.3 1.69 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.924 2.416 . . . . 15.0 111.7 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -71.82 -25.07 61.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 15.0 111.404 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.577 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.8 pm0 -77.15 0.76 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 15.0 111.154 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 13.0 tp -137.38 12.24 3.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.978 0.418 . . . . 15.0 110.856 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 26.4 tptp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.414 -0.803 . . . . 15.0 110.028 -179.174 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.703 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 11.1 pt-20 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 15.0 110.473 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.639 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 9.5 m95 -107.86 150.12 27.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.1 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 16.6 m -123.72 119.82 30.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.041 173.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.447 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 3.9 pt-20 -90.1 150.4 22.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.903 0.859 . . . . 15.0 111.182 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -139.19 150.65 45.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 105.108 -2.182 . . . . 15.0 105.108 -170.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.017 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.5 144.8 44.7 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.514 -1.674 . . . . 15.0 112.628 -175.134 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.476 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 28.5 p -89.68 150.17 22.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.491 -1.231 . . . . 15.0 109.176 170.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.65 -30.12 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.14 0.422 . . . . 15.0 112.14 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -0.08 16.9 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 31.93 10.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.681 -0.771 . . . . 15.0 113.483 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.508 ' HE3' ' CE3' ' A' ' 457' ' ' TRP . 29.0 mtpp -117.26 129.43 55.91 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 111.668 0.248 . . . . 15.0 111.668 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.017 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -91.42 149.89 21.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 118.432 -1.307 . . . . 15.0 108.81 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 2.3 p90 -137.16 130.43 31.09 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -89.94 122.11 32.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.832 . . . . 15.0 109.854 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 436' ' ' THR . 11.0 t80 -97.72 119.67 36.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.217 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 17.7 t-20 -92.11 124.0 35.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.056 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -80.92 -5.11 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.767 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.703 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 24.8 ttm180 -78.36 -40.85 35.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.868 0.366 . . . . 15.0 110.829 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.434 HG22 ' OD1' ' A' ' 449' ' ' ASN . 7.0 t -129.34 9.56 5.63 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.35 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 64.1 mt 62.51 27.49 16.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.525 -0.761 . . . . 15.0 110.692 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.28 127.31 46.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.427 -0.351 . . . . 15.0 110.93 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.4 p -104.37 112.26 25.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.585 -0.28 . . . . 15.0 110.933 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -125.5 133.05 52.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.747 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.9 m95 -64.39 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 15.0 111.204 -175.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.43 125.46 35.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.408 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 20.0 ptmt -63.68 140.08 97.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.402 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 86.2 Cg_endo -73.91 168.8 23.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.194 2.596 . . . . 15.0 112.02 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.74 -29.03 70.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.923 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 3.3 mp0 -64.6 -19.25 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 15.0 111.186 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -116.57 -1.33 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.18 0.514 . . . . 15.0 110.529 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.488 ' NZ ' ' HB3' ' A' ' 464' ' ' LYS . 1.2 ttpm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.794 -0.622 . . . . 15.0 110.814 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.539 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 6.9 pt-20 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.065 0.459 . . . . 15.0 111.194 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.619 ' HB2' HD22 ' A' ' 463' ' ' LEU . 13.8 m95 -100.1 150.16 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.499 . . . . 15.0 110.143 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 10.5 m -128.89 121.33 27.91 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.869 -0.789 . . . . 15.0 108.869 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.79 150.33 22.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.731 0.776 . . . . 15.0 110.44 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.0 150.32 46.87 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.405 -2.072 . . . . 15.0 105.405 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.04 147.42 44.13 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.798 -1.561 . . . . 15.0 112.302 -173.643 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.3 p -89.69 150.34 22.38 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.566 -1.197 . . . . 15.0 109.099 173.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.12 -30.12 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.82 -0.64 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.762 0.282 . . . . 15.0 111.762 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 61.23 1.34 Allowed Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.811 -0.709 . . . . 15.0 113.239 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.547 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.259 54.3 mttp -136.77 127.89 27.89 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 122.397 0.279 . . . . 15.0 110.818 175.399 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.995 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -96.06 150.21 20.74 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 117.944 -1.502 . . . . 15.0 109.207 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.49 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 2.3 p90 -144.23 131.72 21.0 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.802 -0.444 . . . . 15.0 109.802 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 455' ' ' SER . 86.8 m-85 -89.91 124.61 34.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.714 . . . . 15.0 110.695 -172.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.0 t80 -104.5 120.01 40.29 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.568 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.6 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 4.2 t-20 -89.82 118.73 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.469 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -75.25 -10.32 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.2 ptt180 -93.25 -16.74 24.44 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 119.927 -0.709 . . . . 15.0 112.085 -174.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 454' ' ' GLU . 15.3 t -143.29 9.7 1.66 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.37 -0.532 . . . . 15.0 110.745 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.0 mt 64.95 23.15 12.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.09 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.616 ' HB2' HG23 ' A' ' 452' ' ' THR . 38.8 tt0 -90.23 116.76 28.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.401 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.5 m -110.83 125.46 53.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.656 0.265 . . . . 15.0 111.15 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.23 146.19 33.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.718 -0.475 . . . . 15.0 109.718 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.2 m95 -73.49 -21.89 60.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.66 141.76 28.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.071 -174.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 44.6 mtpt -65.96 118.21 49.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.958 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.428 ' HG3' ' CH2' ' A' ' 435' ' ' TRP . 96.3 Cg_endo -78.34 168.27 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.586 2.191 . . . . 15.0 110.977 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.646 ' HG3' ' HD3' ' A' ' 464' ' ' LYS . 35.9 tt0 -73.63 -12.22 60.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.47 0.652 . . . . 15.0 109.515 178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.11 -0.26 27.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.148 -0.933 . . . . 15.0 110.962 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.619 HD22 ' HB2' ' A' ' 435' ' ' TRP . 25.4 tp -152.3 21.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.358 . . . . 15.0 110.575 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.646 ' HD3' ' HG3' ' A' ' 461' ' ' GLN . 21.4 pttp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 119.053 -0.499 . . . . 15.0 111.172 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.603 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 42.2 mt-10 . . . . . 0 C--O 1.233 0.214 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 5.0 m95 -109.09 149.67 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.352 0.596 . . . . 15.0 111.219 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 27.5 m -136.97 118.08 14.41 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.438 -0.949 . . . . 15.0 108.438 171.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 1.0 OUTLIER -90.03 150.59 22.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.691 0.758 . . . . 15.0 111.282 -178.022 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -135.23 150.32 50.05 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.466 -2.049 . . . . 15.0 105.466 -167.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.009 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.76 139.01 52.97 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 117.057 -1.857 . . . . 15.0 112.13 -175.203 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.586 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.0 p -89.75 150.07 22.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.066 -0.97 . . . . 15.0 110.098 173.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.55 -29.95 28.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.174 0.805 . . . . 15.0 113.174 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.25 -1.58 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.824 0.305 . . . . 15.0 111.824 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 60.91 1.36 Allowed Glycine 0 C--N 1.329 0.15 0 C-N-CA 120.937 -0.649 . . . . 15.0 112.372 177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.586 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.2 mmmm -146.81 126.92 13.74 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 111.949 0.351 . . . . 15.0 111.949 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.009 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.3 t -96.23 150.15 20.86 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.7 -1.2 . . . . 15.0 109.51 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -138.58 128.91 25.86 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 171.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -89.79 119.55 30.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.448 -0.575 . . . . 15.0 109.448 -173.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.566 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 4.5 t80 -97.63 116.27 29.52 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.553 -0.749 . . . . 15.0 110.126 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.87 117.47 28.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.255 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.65 -1.28 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.596 0.236 . . . . 15.0 111.3 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.603 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 38.9 ttp180 -89.48 -16.87 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 15.0 111.178 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.43 HG23 ' CB ' ' A' ' 454' ' ' GLU . 9.8 t -145.39 10.07 1.25 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.191 0.519 . . . . 15.0 109.823 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 53.4 mt 59.01 24.38 12.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.123 -0.944 . . . . 15.0 110.988 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.43 ' CB ' HG23 ' A' ' 452' ' ' THR . 8.6 tp10 -99.4 138.21 36.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.191 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -113.06 119.62 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.47 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -129.82 144.49 51.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.251 -0.278 . . . . 15.0 110.251 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -85.98 -13.56 47.23 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.098 0.475 . . . . 15.0 110.77 -175.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.7 mt-10 -100.26 158.36 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.903 -173.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.06 108.79 28.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.219 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 69.7 Cg_endo -84.63 -179.74 3.94 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.171 2.58 . . . . 15.0 112.023 -177.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.9 -9.49 15.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.105 0.478 . . . . 15.0 111.27 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -93.88 -9.05 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.253 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 28.4 tp -157.72 29.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 15.0 110.645 -172.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.617 -0.706 . . . . 15.0 110.958 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.692 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 4.5 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.337 0.589 . . . . 15.0 110.535 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 11.5 m95 -96.57 150.39 20.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.69 -0.686 . . . . 15.0 110.615 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.7 m -120.44 101.45 7.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.91 150.5 22.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.887 0.851 . . . . 15.0 111.214 -176.472 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 77.8 m-85 -136.53 150.73 48.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 105.067 -2.198 . . . . 15.0 105.067 -169.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.001 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -119.06 139.7 51.3 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.341 -1.744 . . . . 15.0 112.477 -175.419 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.3 p -89.96 150.3 22.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.963 -1.017 . . . . 15.0 109.91 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.15 40.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.816 0.673 . . . . 15.0 112.816 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.412 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.3 p-10 -73.22 -2.26 21.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.661 0.267 . . . . 15.0 111.655 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 55.9 1.92 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.987 -0.625 . . . . 15.0 112.625 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.529 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.263 31.4 mtmm -138.81 134.47 33.44 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 178.336 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.001 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 8.8 t -96.6 149.97 21.18 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 119.19 -1.004 . . . . 15.0 109.265 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.612 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -135.87 123.99 23.0 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.726 -0.842 . . . . 15.0 108.726 170.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.497 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 91.2 m-85 -89.68 119.43 30.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.186 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 4.6 t80 -92.79 119.43 32.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.886 -0.597 . . . . 15.0 109.432 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.465 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.6 t-20 -89.64 113.06 24.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.207 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -71.88 -6.72 43.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.733 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.692 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 40.2 ttp180 -79.28 -26.53 42.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.392 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -136.33 5.76 3.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.447 0.642 . . . . 15.0 109.766 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.1 mt 64.31 17.94 11.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.912 -1.04 . . . . 15.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 452' ' ' THR . 50.0 mt-10 -110.7 130.97 55.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.663 -174.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 23.3 t -104.76 135.76 45.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.433 . . . . 15.0 110.483 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -137.36 146.04 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.811 -0.441 . . . . 15.0 109.811 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.612 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.6 m95 -79.01 -24.42 43.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.183 0.516 . . . . 15.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -87.44 123.39 32.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.836 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.23 116.83 46.25 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.582 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.475 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 96.8 Cg_endo -81.67 -175.67 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.799 2.333 . . . . 15.0 111.898 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -61.82 -14.51 33.82 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.69 -29.19 69.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 15.0 111.097 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.7 tp -128.72 5.33 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.566 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 27.0 mtpp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 15.0 110.805 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.665 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.625 0.726 . . . . 15.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 14.4 m95 -128.27 150.09 50.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.12 0.486 . . . . 15.0 111.0 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 28.3 m -132.12 114.26 14.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.82 -0.807 . . . . 15.0 108.82 171.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -90.15 150.76 21.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.97 0.891 . . . . 15.0 111.524 -177.256 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -137.46 150.49 47.63 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 105.717 -1.956 . . . . 15.0 105.717 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.996 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -120.15 139.07 53.16 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 117.54 -1.664 . . . . 15.0 112.421 -174.761 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.8 p -89.94 150.29 22.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.507 -1.224 . . . . 15.0 110.298 175.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.57 -29.91 18.94 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -78.04 -1.66 33.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 59.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.679 -0.772 . . . . 15.0 112.641 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.495 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 49.6 mtmt -144.84 132.76 21.31 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 122.432 0.293 . . . . 15.0 111.338 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.996 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 7.5 t -95.2 150.04 20.65 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 118.781 -1.168 . . . . 15.0 109.174 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.597 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -135.83 127.49 28.99 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 455' ' ' SER . 66.9 m-85 -89.65 116.8 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.527 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.544 ' HE1' ' OD1' ' A' ' 450' ' ' ASN . 4.8 t80 -92.98 120.14 32.97 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.258 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.665 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 3.8 t-20 -98.15 116.4 30.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.376 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.544 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 3.7 m-80 -69.1 -17.85 63.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.337 0.589 . . . . 15.0 110.46 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.466 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 38.2 ttp180 -69.6 -26.64 64.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.38 -0.827 . . . . 15.0 112.0 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 454' ' ' GLU . 5.6 t -140.8 6.77 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 15.0 110.15 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.7 mt 63.34 20.51 12.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 452' ' ' THR . 40.0 tt0 -100.24 124.86 46.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.2 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 6.5 m -106.24 117.88 35.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.491 177.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -128.65 145.52 51.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.314 . . . . 15.0 110.402 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.597 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.6 m95 -81.57 -14.72 56.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.275 -0.421 . . . . 15.0 111.937 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -106.82 135.45 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.832 0.348 . . . . 15.0 111.055 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -57.79 127.03 78.12 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.681 -0.69 . . . . 15.0 112.468 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 60.4 Cg_endo -72.05 167.44 26.75 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.803 2.335 . . . . 15.0 111.391 172.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.94 -15.97 64.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.214 0.531 . . . . 15.0 110.554 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.61 -20.77 56.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.125 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -113.49 -9.02 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.915 -169.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.527 -0.749 . . . . 15.0 109.957 178.732 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 111.857 0.318 . . . . 15.0 111.857 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.484 ' HZ2' ' HG3' ' A' ' 462' ' ' GLU . 11.6 m95 -122.44 150.16 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.184 0.516 . . . . 15.0 111.442 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.8 m -128.9 112.8 14.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.168 -0.924 . . . . 15.0 108.916 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.7 pt-20 -90.01 150.18 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.4 0.619 . . . . 15.0 110.362 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 59.0 m-85 -135.85 150.4 49.37 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 105.356 -2.09 . . . . 15.0 105.356 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.979 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.8 OUTLIER -120.92 140.41 51.87 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 117.616 -1.633 . . . . 15.0 112.594 -176.292 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.726 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 40.5 p -90.1 150.27 22.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.206 168.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.05 21.03 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.319 0.859 . . . . 15.0 113.319 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.04 1.53 17.69 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.872 0.323 . . . . 15.0 111.872 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.54 4.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.671 -0.776 . . . . 15.0 112.644 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.726 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.8 mmtm -122.24 120.65 34.78 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 119.261 -0.399 . . . . 15.0 111.794 177.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.979 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.3 t -96.88 150.07 21.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 117.519 -1.672 . . . . 15.0 108.46 174.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 1.1 p90 -136.06 125.18 24.46 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.161 0.505 . . . . 15.0 109.875 172.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.65 115.42 27.02 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.432 -174.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.9 t80 -93.34 120.26 33.41 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.991 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.444 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.8 t-20 -89.94 113.85 25.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.088 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.17 -8.66 47.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 15.0 111.041 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.444 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 59.2 ttp180 -83.11 -21.91 33.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.695 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.621 HG23 ' HB3' ' A' ' 454' ' ' GLU . 5.2 t -136.25 4.27 2.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.995 0.426 . . . . 15.0 110.069 -178.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.6 mt 61.7 19.32 10.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.234 -0.893 . . . . 15.0 110.383 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.621 ' HB3' HG23 ' A' ' 452' ' ' THR . 43.2 tt0 -112.01 129.56 56.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.998 -0.547 . . . . 15.0 111.324 -172.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 26.3 t -110.16 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.961 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.72 137.74 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 4.3 m95 -78.66 -21.74 47.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.536 0.684 . . . . 15.0 109.893 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.42 137.04 36.08 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 46.7 mtpt -54.9 116.55 11.51 Favored Pre-proline 0 C--O 1.233 0.229 0 O-C-N 123.66 0.6 . . . . 15.0 111.799 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.19 161.18 29.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.831 2.354 . . . . 15.0 111.409 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -63.81 -17.21 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.407 0.622 . . . . 15.0 110.4 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG3' ' HZ2' ' A' ' 435' ' ' TRP . 10.2 mm-40 -71.16 -14.94 62.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.314 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.4 tp -137.65 16.62 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 15.0 110.355 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.2 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.511 -0.757 . . . . 15.0 110.645 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 CA--C 1.527 0.091 0 N-CA-C 108.18 -1.045 . . . . 15.0 108.18 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 16.0 m95 -121.59 150.04 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.604 -1.18 . . . . 15.0 110.367 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 31.2 m -126.72 113.83 17.18 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 173.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 4.8 pt-20 -89.74 150.17 22.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.616 0.722 . . . . 15.0 110.285 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 94.2 m-85 -134.73 150.35 50.57 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 105.329 -2.1 . . . . 15.0 105.329 -172.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.96 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.48 145.28 46.44 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 117.658 -1.617 . . . . 15.0 112.26 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -90.06 150.17 22.2 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.1 171.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.95 60.84 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.193 0.442 . . . . 15.0 112.193 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -77.84 1.77 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.367 -0.378 . . . . 15.0 111.931 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 61.59 1.34 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.728 -0.748 . . . . 15.0 113.093 173.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.575 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.1 mmmm -144.32 125.37 14.47 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 119.461 -0.304 . . . . 15.0 111.501 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.96 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 4.8 t -96.93 150.2 21.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.186 -1.406 . . . . 15.0 108.74 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.32 128.02 23.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.022 0.439 . . . . 15.0 110.066 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -89.84 116.41 27.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.048 -172.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -91.14 122.27 33.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.193 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 4.6 t-20 -96.49 124.88 40.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.261 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.54 -26.14 57.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.335 0.588 . . . . 15.0 110.341 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -66.71 -22.5 66.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.102 -0.954 . . . . 15.0 112.817 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 454' ' ' GLU . 9.8 t -136.06 4.98 3.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.99 21.55 9.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.632 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.531 ' HB3' HG23 ' A' ' 452' ' ' THR . 8.9 tp10 -113.42 141.06 47.53 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.261 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 20.7 t -111.36 125.29 53.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.069 0.461 . . . . 15.0 110.629 -176.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.69 133.98 54.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.5 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.1 m95 -70.48 -21.62 62.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.678 . . . . 15.0 110.094 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 458' ' ' GLU . 5.9 pt-20 -93.25 136.43 33.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.67 -175.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 40.9 ttmt -75.04 125.33 89.38 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 15.0 111.702 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 84.7 Cg_endo -75.07 161.54 38.39 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.372 2.715 . . . . 15.0 112.227 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 464' ' ' LYS . 26.0 tp60 -66.19 -21.99 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.296 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.42 -16.22 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.358 . . . . 15.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.5 tp -127.16 4.5 6.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.258 0.552 . . . . 15.0 110.31 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 461' ' ' GLN . 10.9 tptp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.467 -0.777 . . . . 15.0 110.96 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.629 -0.589 . . . . 15.0 111.629 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.78 -23.33 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.897 0.38 . . . . 15.0 111.185 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 59.5 m -147.65 -49.27 0.17 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.995 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -96.47 128.92 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.118 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.5 p -168.2 133.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.46 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.2 p -103.75 -109.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.879 -0.146 . . . . 15.0 111.297 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.467 ' HG3' ' HG3' ' A' ' 451' ' ' ARG . 1.0 OUTLIER -101.9 11.77 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.07 0.462 . . . . 15.0 110.69 -178.505 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.435 ' CH2' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 -99.07 150.08 22.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.158 0.504 . . . . 15.0 110.754 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 5.2 m -124.22 110.8 15.1 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.57 -0.9 . . . . 15.0 108.57 173.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 2.9 pt-20 -89.98 150.38 22.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.762 0.791 . . . . 15.0 110.616 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -134.99 150.35 50.33 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 105.435 -2.061 . . . . 15.0 105.435 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -122.55 140.14 53.12 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 117.568 -1.653 . . . . 15.0 112.325 -175.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 56.3 p -89.73 150.33 22.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.878 -1.056 . . . . 15.0 109.298 171.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.74 -29.97 55.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -172.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -78.16 3.41 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 58.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.672 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.62 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 64.3 mttm -141.51 124.06 15.89 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-O 119.577 -0.249 . . . . 15.0 111.372 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.995 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.59 150.05 21.09 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.567 -1.253 . . . . 15.0 109.397 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.2 p90 -137.53 125.09 22.15 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 171.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 84.8 m-85 -89.85 122.47 32.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.173 -173.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -101.85 119.79 39.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.428 -0.805 . . . . 15.0 109.86 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.435 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 26.8 t-20 -89.9 118.81 29.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.752 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -74.76 -5.04 41.13 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.611 0.597 . . . . 15.0 112.611 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HG3' ' HG3' ' A' ' 434' ' ' GLU . 14.5 mtm180 -80.41 -44.75 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.768 -0.373 . . . . 15.0 110.433 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.2 t -122.15 7.61 9.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.56 0.695 . . . . 15.0 109.937 -175.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 39.8 mt 64.21 20.32 12.13 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.054 -0.976 . . . . 15.0 110.882 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' A' ' 452' ' ' THR . 33.0 mt-10 -93.2 123.57 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 15.0 112.002 -171.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 11.4 p -102.78 122.63 44.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.047 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -137.6 142.13 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 15.0 110.111 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.7 m95 -74.61 -25.42 59.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.196 0.522 . . . . 15.0 110.677 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -84.91 131.13 34.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.078 -172.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -60.96 117.34 24.69 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.033 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.91 159.07 39.77 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.559 2.839 . . . . 15.0 112.542 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.46 -29.15 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 15.0 111.184 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.8 -12.37 60.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 15.0 111.196 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.9 tp -129.31 17.96 5.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.474 0.654 . . . . 15.0 110.208 -175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.452 -0.785 . . . . 15.0 109.764 -179.055 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.712 -0.555 . . . . 15.0 111.712 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.06 132.19 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.5 t 47.16 28.13 0.92 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.092 0.957 . . . . 15.0 111.993 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . -158.99 142.01 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.848 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.67 ' HA ' ' HB3' ' A' ' 462' ' ' GLU . 87.1 t 75.58 120.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.969 0.793 . . . . 15.0 110.251 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.1 m 63.37 21.69 12.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.696 0.76 . . . . 15.0 109.972 -174.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -90.98 2.11 56.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.2 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.1 m95 -110.84 150.18 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.394 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.3 m -126.51 123.85 38.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.257 173.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -98.8 150.78 21.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.994 0.902 . . . . 15.0 112.385 -176.288 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -137.5 150.62 47.69 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.883 -1.895 . . . . 15.0 105.883 -167.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.0 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -118.12 141.68 48.23 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 117.71 -1.596 . . . . 15.0 112.857 -175.433 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.599 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 37.8 p -90.31 150.3 21.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.968 -1.014 . . . . 15.0 109.962 170.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.66 -29.88 53.8 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.34 3.2 18.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 64.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.425 -0.893 . . . . 15.0 112.714 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.599 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 48.6 mttp -149.3 123.62 9.6 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 119.531 -0.271 . . . . 15.0 111.619 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.0 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.9 t -92.8 140.52 29.43 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.032 -1.467 . . . . 15.0 108.753 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.559 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.1 p90 -126.81 127.61 45.28 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 57.4 m-85 -89.67 125.33 35.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.375 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 436' ' ' THR . 4.0 t80 -106.35 121.96 45.28 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.991 -176.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.45 ' OD1' HG22 ' A' ' 452' ' ' THR . 27.0 t-20 -91.35 131.41 36.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.217 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.406 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 44.5 m-80 -84.53 -23.78 29.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 15.0 111.508 -174.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 451' ' ' ARG . 10.1 ttp180 -75.74 -36.47 59.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.722 -0.672 . . . . 15.0 112.389 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.45 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.3 t -126.79 10.8 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.768 0.318 . . . . 15.0 110.547 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.9 mt 59.32 30.49 20.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.719 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.416 ' HB2' HG23 ' A' ' 452' ' ' THR . 40.9 tt0 -95.96 111.73 23.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.57 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 7.9 p -102.55 120.79 41.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.779 0.324 . . . . 15.0 110.541 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.94 150.03 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.379 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.2 m95 -84.57 -11.81 55.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.383 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -97.89 155.12 17.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.954 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 65.3 mttt -76.05 124.88 88.52 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.084 0.469 . . . . 15.0 111.875 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -85.42 -174.15 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.21 2.607 . . . . 15.0 111.793 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -75.15 -17.89 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.292 0.568 . . . . 15.0 110.564 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.67 ' HB3' ' HA ' ' A' ' 432' ' ' VAL . 1.9 mp0 -90.54 0.8 57.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 15.0 112.079 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 19.3 tp -154.41 23.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.014 0.435 . . . . 15.0 110.903 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.3 ttpm? . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.807 -0.633 . . . . 15.0 111.124 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.811 0 N-CA-C 111.997 -0.441 . . . . 15.0 111.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -167.22 -56.04 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.393 0.616 . . . . 15.0 112.135 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.7 t -119.28 -0.3 11.02 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.903 -171.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.627 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . . . -83.02 112.73 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 110.314 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.94 -18.12 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.203 0.525 . . . . 15.0 110.622 -177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.9 p -89.24 10.37 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.697 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.627 ' HG3' ' HB3' ' A' ' 431' ' ' ALA . 56.9 mt-10 -67.54 -5.31 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 15.0 110.955 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.513 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 3.6 m95 -118.64 150.11 40.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.274 0.559 . . . . 15.0 110.518 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.5 m -132.1 119.16 20.58 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.369 -0.832 . . . . 15.0 109.052 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.62 150.3 22.44 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.444 0.64 . . . . 15.0 110.01 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -137.99 150.26 46.83 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 105.484 -2.043 . . . . 15.0 105.484 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.947 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -116.67 142.43 46.91 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 117.626 -1.629 . . . . 15.0 112.679 -176.364 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.0 p -89.87 150.28 22.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.532 -1.213 . . . . 15.0 109.623 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.84 60.25 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.656 0.382 . . . . 15.0 111.684 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -74.58 -1.5 21.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.452 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 53.57 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.829 -0.701 . . . . 15.0 113.359 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.556 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 59.2 mttp -136.24 129.85 32.19 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 111.64 0.237 . . . . 15.0 111.64 177.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.947 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.2 t -95.86 150.04 20.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.15 -1.42 . . . . 15.0 108.682 174.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 3.6 p90 -142.63 128.41 19.33 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.265 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.419 -174.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 10.9 t80 -96.85 118.78 34.03 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.018 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 4.7 t-20 -91.36 118.98 30.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.653 -0.249 . . . . 15.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -75.22 -7.0 52.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.102 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 44.6 ttp180 -83.05 -26.0 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.338 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.493 HG23 ' CB ' ' A' ' 454' ' ' GLU . 8.9 t -142.2 11.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.557 . . . . 15.0 110.02 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.0 mt 57.87 26.44 13.28 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.3 -0.864 . . . . 15.0 110.803 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.493 ' CB ' HG23 ' A' ' 452' ' ' THR . 31.4 tt0 -107.62 135.66 48.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.657 -172.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -115.03 124.37 51.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.239 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -128.73 138.19 51.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.9 0.381 . . . . 15.0 110.004 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.438 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.6 m95 -77.22 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 15.0 109.972 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.89 149.19 22.15 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.993 -1.003 . . . . 15.0 110.427 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.2 120.21 79.08 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.118 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.72 161.43 28.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.441 2.761 . . . . 15.0 112.846 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.37 -17.11 62.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.275 0.559 . . . . 15.0 110.761 -177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.87 -5.25 53.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.194 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 463' ' ' LEU . 30.0 tp -131.48 4.98 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.843 -175.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.401 -0.809 . . . . 15.0 110.462 -177.227 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.738 -0.545 . . . . 15.0 111.738 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -147.4 -178.73 6.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 15.0 111.204 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 50.4 m -146.81 121.69 9.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.486 -0.779 . . . . 15.0 108.953 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.72 174.8 7.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.137 0.494 . . . . 15.0 110.916 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.12 144.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.539 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.7 m 59.56 41.47 18.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.593 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.548 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 66.4 mt-10 -71.45 4.52 2.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.183 0.516 . . . . 15.0 111.111 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.556 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.0 m95 -111.54 148.49 33.11 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.202 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 19.2 m -129.76 112.28 13.46 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.624 -0.88 . . . . 15.0 108.624 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -90.08 150.53 22.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.849 0.833 . . . . 15.0 111.204 -175.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -137.58 150.73 47.68 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 105.452 -2.055 . . . . 15.0 105.452 -167.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.987 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.01 143.64 47.95 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 117.723 -1.591 . . . . 15.0 112.387 -171.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 41.7 p -89.67 150.27 22.42 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.945 -1.025 . . . . 15.0 109.448 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.24 -30.06 48.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.686 0.625 . . . . 15.0 112.686 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -80.71 2.66 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.676 -0.238 . . . . 15.0 111.562 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 62.18 1.29 Allowed Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.989 -0.624 . . . . 15.0 113.384 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.631 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.9 mttt -146.18 128.38 15.72 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 111.69 0.256 . . . . 15.0 111.69 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.987 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.2 t -96.22 150.01 21.01 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.643 -1.223 . . . . 15.0 109.216 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -138.17 126.9 23.68 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 109.236 -0.654 . . . . 15.0 109.236 172.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.71 118.05 29.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.733 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.487 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.4 t80 -96.51 120.57 37.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.383 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 21.8 t-20 -97.8 128.22 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 15.0 111.272 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -80.01 -2.13 42.76 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.838 0.681 . . . . 15.0 112.838 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.548 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 31.3 mtm-85 -86.91 -27.32 23.44 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.593 -0.443 . . . . 15.0 111.194 -178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.3 t -132.02 5.05 4.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.728 -0.471 . . . . 15.0 109.728 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 66.7 mt 59.69 24.57 13.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.228 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -108.27 137.5 46.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.795 -172.012 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 t -110.65 128.56 55.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.593 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -126.6 138.2 53.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -75.75 -17.89 59.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 15.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -84.85 134.59 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.135 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.3 tttt -67.1 121.79 79.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.28 -173.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.713 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 53.0 Cg_endo -69.07 157.11 63.02 Favored 'Trans proline' 0 CA--C 1.521 -0.154 0 C-N-CA 123.108 2.539 . . . . 15.0 111.961 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.637 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 21.3 tt0 -84.0 -11.68 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.036 0.446 . . . . 15.0 110.688 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.02 -2.01 57.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 15.0 109.77 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.713 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -139.81 14.89 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.553 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.4 ttpt . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.426 -0.797 . . . . 15.0 110.452 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.327 -0.709 . . . . 15.0 111.327 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -76.2 121.1 22.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.959 -0.385 . . . . 15.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.9 p -76.1 -25.8 55.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 15.0 110.946 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -150.2 108.8 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.706 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 462' ' ' GLU . 37.1 t -85.2 87.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.743 0.782 . . . . 15.0 109.913 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.2 p -82.59 15.23 2.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.7 10.29 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.804 -0.635 . . . . 15.0 111.177 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -100.74 147.82 25.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.237 0.541 . . . . 15.0 110.739 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 m -125.34 116.87 22.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.817 -0.809 . . . . 15.0 108.817 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -89.79 150.27 22.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.889 0.852 . . . . 15.0 110.911 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.15 150.58 49.13 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 105.423 -2.065 . . . . 15.0 105.423 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.001 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -121.42 142.17 50.28 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.648 -1.621 . . . . 15.0 112.46 -175.278 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.61 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 47.7 p -89.73 150.37 22.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.88 -1.054 . . . . 15.0 109.656 172.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.56 -29.89 27.88 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.663 0.616 . . . . 15.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.82 0.46 26.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.708 0.289 . . . . 15.0 111.477 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 53.44 2.35 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.911 -0.661 . . . . 15.0 113.097 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.61 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.27 23.9 mttm -132.29 129.76 39.97 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 119.435 -0.317 . . . . 15.0 111.715 177.115 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.001 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.6 t -96.62 150.23 20.9 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 118.031 -1.467 . . . . 15.0 108.92 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.5 p90 -142.02 128.8 20.5 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.027 0.441 . . . . 15.0 109.93 173.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -89.86 121.71 32.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.378 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 0.2 OUTLIER -102.71 123.39 46.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 15.0 110.078 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.576 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 20.7 t-20 -89.95 118.56 29.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.782 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -72.5 -6.78 46.17 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.063 0.394 . . . . 15.0 112.063 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.576 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.2 ttp180 -82.84 -23.72 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 15.0 111.049 -175.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -147.69 9.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 15.0 111.104 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.9 mt 62.06 28.44 17.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.678 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.484 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.1 tp10 -95.2 118.23 31.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.513 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 39.2 t -107.54 126.66 52.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.635 0.255 . . . . 15.0 110.602 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -146.36 142.33 28.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 15.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 2.2 m95 -72.19 -30.87 65.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.427 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -76.31 126.52 31.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.406 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -51.24 118.33 10.52 Favored Pre-proline 0 C--O 1.234 0.241 0 O-C-N 123.841 0.713 . . . . 15.0 111.06 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.485 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 27.4 Cg_endo -62.6 144.37 94.21 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.1 2.533 . . . . 15.0 113.067 -175.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.58 -15.08 62.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.934 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.512 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 52.5 mt-10 -81.07 -8.96 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.197 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.485 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -144.06 23.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.404 -174.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.129 -0.938 . . . . 15.0 111.196 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.965 -0.454 . . . . 15.0 111.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -113.97 -48.63 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.736 0.779 . . . . 15.0 110.996 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.5 m -110.67 7.45 22.28 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.772 -1.104 . . . . 15.0 110.122 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -154.17 151.96 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.583 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.12 6.48 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.418 0.627 . . . . 15.0 110.139 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 p -75.92 37.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.161 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 6.1 tp10 -74.9 -5.39 43.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 15.0 110.463 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 23.5 m95 -113.67 149.73 34.24 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.276 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.0 m -132.74 121.24 22.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.223 -0.899 . . . . 15.0 108.833 171.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -89.76 150.52 22.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 15.0 111.633 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -136.32 150.51 48.91 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 105.78 -1.933 . . . . 15.0 105.78 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.981 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.6 141.86 49.92 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 117.631 -1.628 . . . . 15.0 112.62 -174.003 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.715 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.2 p -90.15 150.14 22.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.979 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.45 -30.26 39.7 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.036 0.754 . . . . 15.0 113.036 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.5 -1.57 31.12 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.93 0.344 . . . . 15.0 111.93 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 65.13 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.556 -0.83 . . . . 15.0 112.416 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.715 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 95.7 mttt -145.03 125.43 13.92 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 122.703 0.401 . . . . 15.0 111.209 177.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.981 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.8 t -94.57 150.06 20.62 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.005 -1.478 . . . . 15.0 108.812 174.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.511 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 3.1 p90 -142.54 132.03 23.73 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.723 -0.473 . . . . 15.0 109.723 173.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -89.79 122.19 32.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.173 -170.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 2.6 t80 -95.45 121.15 36.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.399 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.525 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 19.4 t-20 -98.39 121.42 40.31 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.401 -177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.92 -12.25 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.613 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.525 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.4 ttp180 -71.52 -26.85 62.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.266 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.486 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -146.4 11.69 1.16 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.967 0.413 . . . . 15.0 110.332 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 62.17 24.23 14.4 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.351 -0.841 . . . . 15.0 111.605 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB2' HG23 ' A' ' 452' ' ' THR . 58.9 mm-40 -101.42 131.16 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.225 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -117.29 124.56 49.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.524 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -142.34 150.34 40.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.472 . . . . 15.0 110.367 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.1 m95 -71.29 -7.5 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.967 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.9 136.08 33.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.609 0.242 . . . . 15.0 110.985 -172.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -61.85 117.4 28.39 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.246 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 143.97 28.3 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.472 2.781 . . . . 15.0 112.852 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -63.57 -29.01 70.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 15.0 109.955 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.64 -9.85 59.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.916 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.78 16.32 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 15.0 110.621 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.751 -0.642 . . . . 15.0 111.097 -175.493 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 112.66 -0.176 . . . . 15.0 112.66 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -114.23 -32.36 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.404 0.621 . . . . 15.0 109.868 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 434' ' ' GLU . 4.3 m -117.56 -7.5 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.234 -0.894 . . . . 15.0 110.757 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 434' ' ' GLU . . . 60.5 -148.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.118 -0.492 . . . . 15.0 109.969 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 433' ' ' SER . 85.9 t -56.31 135.94 19.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 173.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 26.1 t 80.21 24.42 0.38 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.228 0.955 . . . . 15.0 110.143 -173.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.663 ' HB2' ' O ' ' A' ' 431' ' ' ALA . 23.4 tt0 -73.24 1.66 8.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.62 0.724 . . . . 15.0 109.999 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -107.72 149.95 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.696 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.2 m -126.41 114.85 18.74 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.974 -0.75 . . . . 15.0 108.974 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -90.03 150.72 21.99 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.803 0.811 . . . . 15.0 110.873 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 74.5 m-85 -136.94 150.46 48.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 105.396 -2.075 . . . . 15.0 105.396 -171.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.976 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.22 138.18 53.78 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 117.644 -1.622 . . . . 15.0 112.245 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 69.1 p -89.76 150.05 22.45 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.785 174.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.16 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.67 0.619 . . . . 15.0 112.67 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.45 1.18 17.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.845 0.313 . . . . 15.0 111.845 -177.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 15.0 112.808 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.605 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.271 30.1 mmmt -139.61 129.98 25.46 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 119.166 -0.445 . . . . 15.0 111.537 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.976 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.0 t -96.9 150.09 21.14 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.282 -1.367 . . . . 15.0 108.365 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.475 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -137.47 124.97 22.07 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 67.1 m-85 -89.89 116.17 27.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.296 -0.866 . . . . 15.0 109.463 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.7 t80 -97.96 117.65 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.757 -175.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 23.3 t-20 -90.05 115.65 27.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.268 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -75.33 -0.55 20.12 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.977 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 41.6 ttp-105 -90.04 -26.63 20.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.626 -0.261 . . . . 15.0 111.375 -175.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.678 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.7 t -137.24 11.19 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.11 0.481 . . . . 15.0 110.313 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 56.7 mt 63.46 20.12 12.07 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.032 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG23 ' A' ' 452' ' ' THR . 34.6 mm-40 -98.79 128.43 45.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.01 0.374 . . . . 15.0 112.01 -172.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.2 t -101.14 125.57 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 15.0 109.819 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -131.63 140.41 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.0 m95 -90.16 -8.99 49.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 15.0 110.673 -173.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.4 142.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.687 -173.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -64.03 115.31 18.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 15.0 112.296 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 92.1 Cg_endo -79.86 172.96 13.4 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.927 2.418 . . . . 15.0 111.139 174.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.62 -15.32 63.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.004 0.43 . . . . 15.0 111.532 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG2' ' H ' ' A' ' 462' ' ' GLU . 3.6 pt-20 -96.2 8.3 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.379 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 20.3 tp -157.46 24.87 0.29 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.727 -0.389 . . . . 15.0 111.53 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.993 -1.003 . . . . 15.0 110.831 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.857 -0.497 . . . . 15.0 111.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 67.9 165.48 0.23 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.235 0.614 . . . . 15.0 112.094 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 462' ' ' GLU . 8.8 t -140.02 134.14 31.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.994 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 462' ' ' GLU . . . -165.07 134.6 3.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 15.0 109.564 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.5 p -170.09 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.892 0.377 . . . . 15.0 110.751 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.7 p -84.64 33.76 0.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.148 0.499 . . . . 15.0 110.548 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -10.19 59.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.136 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -89.73 146.44 24.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.522 0.677 . . . . 15.0 110.242 -175.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 4.1 m -119.14 105.57 11.52 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.129 -0.941 . . . . 15.0 109.161 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.83 150.51 22.21 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.622 0.725 . . . . 15.0 110.377 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -134.9 150.36 50.42 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.064 -2.199 . . . . 15.0 105.064 -170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.967 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.07 137.37 54.84 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 117.364 -1.735 . . . . 15.0 111.892 -177.183 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.789 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 74.7 p -89.78 150.23 22.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.756 -1.111 . . . . 15.0 110.146 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.93 -29.55 29.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.812 1.041 . . . . 15.0 113.812 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.92 5.37 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 15.0 111.497 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 53.95 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.923 -0.656 . . . . 15.0 112.13 176.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.789 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 23.5 mmtp -134.84 129.15 34.02 Favored 'General case' 0 CA--C 1.478 -1.816 0 N-CA-C 112.933 0.716 . . . . 15.0 112.933 -176.323 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.967 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 m -99.73 150.1 22.66 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.526 -0.869 . . . . 15.0 109.139 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.4 OUTLIER -143.53 123.99 13.95 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.471 -0.566 . . . . 15.0 109.471 167.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 71.4 m-85 -89.76 124.08 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.351 -0.841 . . . . 15.0 109.545 -173.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.525 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.3 t80 -104.24 124.28 48.85 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.607 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.77 118.75 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.951 -0.568 . . . . 15.0 109.835 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.0 -11.18 60.65 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -78.28 -26.03 46.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 15.0 111.652 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.3 t -140.73 6.62 2.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.446 0.641 . . . . 15.0 109.605 -176.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 63.35 21.02 12.59 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.165 -0.925 . . . . 15.0 110.898 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.525 ' HB2' HG23 ' A' ' 452' ' ' THR . 79.9 mm-40 -107.18 134.41 50.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.403 -173.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.425 ' HB3' ' HB2' ' A' ' 448' ' ' TYR . 18.0 p -125.4 133.18 52.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.738 0.304 . . . . 15.0 111.621 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -135.41 149.97 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.627 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.5 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 1.7 m95 -81.86 -7.7 59.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.244 -0.434 . . . . 15.0 111.385 -174.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.04 111.89 24.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.031 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.701 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 14.6 ttmm -35.43 110.51 0.42 Allowed Pre-proline 0 N--CA 1.469 0.497 0 O-C-N 124.419 1.074 . . . . 15.0 112.822 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 35.1 Cg_endo -65.08 153.16 79.64 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.486 2.791 . . . . 15.0 112.644 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.44 -29.3 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.559 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.493 ' HG2' HG23 ' A' ' 430' ' ' THR . 72.1 mt-10 -75.64 -7.88 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 15.0 111.278 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.7 tp -143.92 22.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 15.0 109.725 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.701 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 25.1 ttmm . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.206 -0.902 . . . . 15.0 110.373 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.84 -0.504 . . . . 15.0 111.84 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -129.45 -26.49 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.827 0.346 . . . . 15.0 110.885 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.8 m -107.19 110.58 22.67 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.612 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 69.78 101.26 0.06 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.989 0.806 . . . . 15.0 111.456 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.9 p -161.97 138.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.342 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.479 ' HA ' HD13 ' A' ' 463' ' ' LEU . 28.5 t 68.42 24.73 7.1 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.257 176.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.11 26.68 1.14 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.883 0.373 . . . . 15.0 110.845 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 7.8 m95 -110.51 150.18 29.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.262 0.554 . . . . 15.0 111.728 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 27.4 m -133.85 118.06 17.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.29 -0.868 . . . . 15.0 108.939 173.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.3 OUTLIER -89.89 150.66 22.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.004 0.907 . . . . 15.0 111.51 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -134.31 150.36 50.96 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 105.101 -2.185 . . . . 15.0 105.101 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.41 145.27 48.44 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.647 -1.621 . . . . 15.0 112.401 -175.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 59.0 p -89.91 150.15 22.31 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.544 -1.207 . . . . 15.0 109.023 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.41 -29.52 35.42 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.181 0.437 . . . . 15.0 112.181 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.38 4.57 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.246 0.461 . . . . 15.0 112.246 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 40.76 5.8 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.88 -0.676 . . . . 15.0 113.808 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.543 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 52.8 mtpt -124.59 128.1 48.39 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 t -98.25 150.07 21.92 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.065 -1.054 . . . . 15.0 110.003 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -138.07 126.04 22.67 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.491 -0.559 . . . . 15.0 109.491 171.377 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -89.63 115.2 26.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.829 -0.623 . . . . 15.0 109.525 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.1 t80 -94.86 121.21 36.22 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.529 -0.76 . . . . 15.0 110.182 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.417 ' OD1' HG22 ' A' ' 452' ' ' THR . 24.3 t-20 -89.92 115.44 27.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.838 0.351 . . . . 15.0 110.331 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -74.67 -3.26 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.488 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -88.32 -22.3 23.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.586 -0.279 . . . . 15.0 111.23 -175.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.0 t -138.86 8.76 2.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.514 0.673 . . . . 15.0 109.386 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.7 mt 64.32 20.11 12.04 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.654 -1.157 . . . . 15.0 110.956 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.549 ' HB2' HG23 ' A' ' 452' ' ' THR . 45.7 mt-10 -110.62 129.31 55.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 15.0 111.842 -174.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 3.0 p -109.52 131.78 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.58 . . . . 15.0 111.729 -177.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.69 142.85 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.66 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.4 m95 -69.92 -27.14 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.742 0.306 . . . . 15.0 111.584 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.39 144.72 27.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.229 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.4 112.64 10.71 Favored Pre-proline 0 C--O 1.234 0.255 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.111 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -71.99 150.65 55.11 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.017 2.478 . . . . 15.0 113.013 -173.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -62.14 -21.67 65.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.68 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.13 -2.38 37.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.813 -0.631 . . . . 15.0 110.182 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 433' ' ' SER . 29.6 tp -147.89 29.84 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.444 -0.947 . . . . 15.0 108.444 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.914 -1.039 . . . . 15.0 112.117 -174.82 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.925 -0.47 . . . . 15.0 111.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -79.52 51.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.307 0.575 . . . . 15.0 110.881 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.3 t -138.87 -1.1 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.517 -0.765 . . . . 15.0 110.295 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -79.12 153.89 29.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.437 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 462' ' ' GLU . 40.2 t -83.2 102.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.261 0.553 . . . . 15.0 111.044 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.7 t -132.88 24.42 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.566 -0.901 . . . . 15.0 108.566 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.27 7.99 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.643 -1.162 . . . . 15.0 112.06 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.476 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 10.8 m95 -113.67 150.11 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.279 0.562 . . . . 15.0 111.824 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.4 m -135.97 121.97 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.739 172.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 3.2 pt-20 -89.81 150.5 22.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.755 0.788 . . . . 15.0 111.076 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -138.34 150.35 46.51 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.317 -2.105 . . . . 15.0 105.317 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.015 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -121.66 140.23 52.55 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.84 -1.544 . . . . 15.0 112.954 -174.035 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.435 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 18.9 p -89.97 150.18 22.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.406 170.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.47 -29.83 37.76 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.944 0.72 . . . . 15.0 112.944 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.427 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.9 p-10 -73.18 -1.0 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 15.0 111.683 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 41.96 5.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.979 -0.629 . . . . 15.0 113.44 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.435 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 5.9 mtmp? -123.5 131.26 53.59 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 111.39 0.144 . . . . 15.0 111.39 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.015 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.06 149.99 20.98 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.869 -1.133 . . . . 15.0 108.825 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.475 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -136.67 127.15 26.77 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 39.3 m-85 -89.78 116.43 27.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.417 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.5 t80 -93.12 118.63 31.44 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.088 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 452' ' ' THR . 22.0 t-20 -91.01 115.78 28.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.154 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -72.76 -5.59 38.95 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.86 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.418 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 43.6 ttp180 -89.0 -27.45 20.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.679 0.276 . . . . 15.0 111.498 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.919 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.4 t -135.63 9.56 3.38 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.063 0.459 . . . . 15.0 110.161 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.9 mt 64.04 20.84 12.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.359 -0.837 . . . . 15.0 111.072 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.919 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -97.37 123.03 41.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.462 -172.017 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 m -109.02 119.47 39.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.428 -0.351 . . . . 15.0 110.379 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -132.31 143.04 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.243 -0.28 . . . . 15.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.8 m95 -73.92 -18.26 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 15.0 110.874 -176.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -105.91 120.33 41.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.147 0.498 . . . . 15.0 111.098 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.909 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 16.6 ptpt -69.09 128.01 92.82 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.241 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.28 -171.52 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.008 2.472 . . . . 15.0 111.295 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.411 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 5.8 tp-100 -65.67 -12.61 55.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.117 0.484 . . . . 15.0 110.864 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.601 ' HB3' HG11 ' A' ' 432' ' ' VAL . 49.4 mt-10 -72.72 -18.77 61.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 15.0 111.897 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 17.7 tp -147.02 15.7 1.19 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 15.0 111.426 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.909 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 15.1 ttpp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.346 -0.835 . . . . 15.0 110.671 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 N-CA-C 111.292 -0.723 . . . . 15.0 111.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.96 64.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.229 0.538 . . . . 15.0 110.955 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.7 m -94.37 -22.57 18.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.552 . . . . 15.0 110.645 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -152.88 117.82 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.1 -16.3 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.393 0.616 . . . . 15.0 110.044 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.8 m -76.99 18.88 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.494 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.9 -15.45 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.915 0.388 . . . . 15.0 110.583 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -112.07 144.6 41.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.522 0.677 . . . . 15.0 111.595 -171.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 6.3 m -126.49 109.89 12.67 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.6 -1.182 . . . . 15.0 108.018 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.03 150.71 21.98 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.671 0.748 . . . . 15.0 111.32 -176.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -137.23 150.29 47.76 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 103.91 -2.626 . . . . 15.0 103.91 -169.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.994 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.6 OUTLIER -111.89 148.08 34.44 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 116.914 -1.914 . . . . 15.0 111.298 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.42 150.01 22.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.53 -1.214 . . . . 15.0 108.947 169.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.06 -30.06 46.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD1' ' HD3' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -77.05 5.24 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.414 -179.137 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.62 64.13 1.78 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.903 -0.665 . . . . 15.0 112.897 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.55 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 22.8 mtpt -151.93 126.04 9.21 Favored 'General case' 0 CA--C 1.478 -1.818 0 C-N-CA 122.595 0.358 . . . . 15.0 111.022 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.994 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 m -90.03 147.88 23.4 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 108.482 -0.933 . . . . 15.0 108.482 -176.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.494 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.6 OUTLIER -137.24 126.06 24.05 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.267 0.556 . . . . 15.0 109.742 170.498 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.8 121.63 32.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.501 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.0 t80 -105.35 118.53 36.8 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.949 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.694 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 23.0 t-20 -89.92 121.0 31.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 15.0 110.288 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -78.88 -0.26 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.995 0.739 . . . . 15.0 112.995 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.694 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 11.8 ptt180 -102.82 -10.78 18.8 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.999 -0.68 . . . . 15.0 111.358 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.47 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.2 t -140.89 6.16 1.99 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.241 -0.651 . . . . 15.0 109.241 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 40.2 mt 61.02 20.21 10.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.094 -0.957 . . . . 15.0 111.052 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.469 ' CB ' HG23 ' A' ' 452' ' ' THR . 30.9 tt0 -95.74 125.78 40.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 15.0 111.471 -170.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 m -111.26 134.54 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.89 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.08 144.49 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.116 -0.327 . . . . 15.0 110.116 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.3 m95 -78.02 -24.24 47.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.112 0.482 . . . . 15.0 110.891 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.89 139.24 30.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.204 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 459' ' ' LYS . 18.3 ptpt -65.37 123.86 85.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.219 0.533 . . . . 15.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.36 166.27 28.88 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.594 2.196 . . . . 15.0 111.493 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.72 -13.15 29.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.296 0.569 . . . . 15.0 110.648 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.73 -11.58 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.298 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.7 tp -127.16 19.74 6.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.785 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.584 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.217 -0.353 . . . . 15.0 112.217 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.06 -28.42 68.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 15.0 111.595 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.1 t -111.6 145.98 38.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.108 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -143.24 97.38 3.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.961 0.41 . . . . 15.0 110.615 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.74 -29.1 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 15.0 110.608 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.3 m -80.6 3.83 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.752 -0.658 . . . . 15.0 111.455 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.876 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 5.6 tp10 -85.09 3.98 36.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.009 0.433 . . . . 15.0 110.526 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.549 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 4.3 m95 -119.47 150.15 40.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.548 0.69 . . . . 15.0 110.943 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.4 m -136.26 124.72 23.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.961 -1.018 . . . . 15.0 108.667 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.93 150.25 22.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.538 0.685 . . . . 15.0 110.31 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -139.24 150.69 45.79 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.043 -2.206 . . . . 15.0 105.043 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.74 144.14 45.58 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 117.547 -1.661 . . . . 15.0 112.525 -174.552 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 38.7 p -89.83 150.18 22.35 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.629 -1.168 . . . . 15.0 109.138 170.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.86 30.28 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.185 0.809 . . . . 15.0 113.185 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.12 2.01 22.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.84 52.47 2.61 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.938 -0.648 . . . . 15.0 113.344 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.687 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 43.5 mttp -130.76 122.97 28.18 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 119.389 -0.339 . . . . 15.0 111.355 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.1 t -94.21 149.94 20.77 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 117.941 -1.504 . . . . 15.0 108.87 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.01 131.43 28.55 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.806 -0.442 . . . . 15.0 109.806 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -89.8 117.75 28.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.213 -0.662 . . . . 15.0 109.213 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.549 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.6 t80 -96.44 118.89 33.9 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.459 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.404 ' OD1' HG22 ' A' ' 452' ' ' THR . 25.9 t-20 -90.09 116.73 28.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.612 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.49 -11.18 60.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.965 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.876 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 31.6 mtm180 -78.78 -23.02 45.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -175.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 454' ' ' GLU . 8.0 t -141.55 8.09 1.95 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.389 0.614 . . . . 15.0 109.801 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 45.0 mt 63.66 20.64 12.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.505 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' A' ' 452' ' ' THR . 41.0 mt-10 -104.9 130.54 53.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.191 -175.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.0 t -120.23 124.3 45.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.598 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.72 150.32 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.105 0.479 . . . . 15.0 109.755 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.471 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.4 m95 -77.67 -2.7 37.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.216 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -95.56 132.07 41.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.518 -172.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -63.15 116.26 23.63 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.746 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.482 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 42.9 Cg_endo -68.01 166.08 26.01 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.925 2.417 . . . . 15.0 112.004 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.37 0.605 . . . . 15.0 110.621 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.88 -11.28 45.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.482 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -144.97 29.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.504 0.669 . . . . 15.0 109.889 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.081 -178.508 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 111.506 -0.638 . . . . 15.0 111.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.9 14.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.862 0.363 . . . . 15.0 111.341 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 53.1 m -146.75 120.77 9.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.359 . . . . 15.0 111.046 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -156.13 163.17 39.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 15.0 109.759 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.82 162.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.677 -0.238 . . . . 15.0 110.434 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 t 61.7 29.12 18.0 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.308 0.575 . . . . 15.0 109.867 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 3.75 7.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.378 -0.828 . . . . 15.0 111.609 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 8.5 m95 -89.67 148.19 23.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.616 -0.513 . . . . 15.0 109.616 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.0 m -121.21 111.37 17.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.789 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.579 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -89.83 150.58 22.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.66 0.743 . . . . 15.0 110.576 178.395 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 84.3 m-85 -135.38 150.25 49.87 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.309 -2.108 . . . . 15.0 105.309 -173.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.955 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.16 141.11 51.79 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 117.542 -1.663 . . . . 15.0 112.63 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.1 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.243 -1.344 . . . . 15.0 109.478 173.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.72 -29.85 29.16 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -174.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -82.11 3.33 27.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.913 0.338 . . . . 15.0 111.913 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 55.72 1.93 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.836 -0.697 . . . . 15.0 113.031 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.603 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.8 mtpp -135.22 126.12 27.54 Favored 'General case' 0 CA--C 1.483 -1.608 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.955 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 11.2 t -100.0 150.26 22.61 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.502 -1.279 . . . . 15.0 109.129 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.592 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.7 p90 -140.23 124.41 17.69 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.098 0.475 . . . . 15.0 110.077 172.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 47.2 m-85 -90.21 117.75 29.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.342 -0.845 . . . . 15.0 109.69 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.2 120.03 32.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.995 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' ' 452' ' ' THR . 4.0 t-20 -90.4 124.94 35.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.1 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -83.01 -12.29 57.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.705 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.414 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.1 ttp180 -69.63 -36.04 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.597 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.678 HG23 ' HB2' ' A' ' 454' ' ' GLU . 8.9 t -134.25 10.7 3.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.003 0.43 . . . . 15.0 110.153 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.4 mt 61.57 24.55 14.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.293 -0.867 . . . . 15.0 110.966 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG23 ' A' ' 452' ' ' THR . 23.3 mm-40 -105.53 130.59 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.897 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 p -99.75 127.37 45.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.684 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -137.46 140.24 41.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.773 0.32 . . . . 15.0 110.464 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.592 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.8 m95 -76.07 -16.33 59.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.326 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 458' ' ' GLU . 5.3 mm-40 -105.67 168.4 9.12 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.342 0.591 . . . . 15.0 112.038 -171.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.648 ' HD2' ' N ' ' A' ' 459' ' ' LYS . 6.7 mptt -94.01 120.15 66.03 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 15.0 111.533 -167.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.577 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 91.4 Cg_endo -76.76 -173.3 1.69 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.924 2.416 . . . . 15.0 111.7 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -71.82 -25.07 61.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 15.0 111.404 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.577 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.8 pm0 -77.15 0.76 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 15.0 111.154 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 13.0 tp -137.38 12.24 3.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.978 0.418 . . . . 15.0 110.856 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 26.4 tptp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.414 -0.803 . . . . 15.0 110.028 -179.174 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.986 -0.445 . . . . 15.0 111.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -150.72 -25.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 15.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.9 m -80.23 -24.86 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.786 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.01 87.63 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.487 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 26.6 m -81.53 -18.61 11.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 15.0 110.782 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.2 m -80.73 86.48 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.277 0.561 . . . . 15.0 110.012 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.703 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 11.1 pt-20 -103.98 10.95 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.24 -0.891 . . . . 15.0 110.473 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.639 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 9.5 m95 -107.86 150.12 27.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.1 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 16.6 m -123.72 119.82 30.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.041 173.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.447 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 3.9 pt-20 -90.1 150.4 22.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.903 0.859 . . . . 15.0 111.182 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -139.19 150.65 45.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 105.108 -2.182 . . . . 15.0 105.108 -170.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.017 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.5 144.8 44.7 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.514 -1.674 . . . . 15.0 112.628 -175.134 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.476 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 28.5 p -89.68 150.17 22.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.491 -1.231 . . . . 15.0 109.176 170.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.65 -30.12 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.14 0.422 . . . . 15.0 112.14 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -0.08 16.9 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 31.93 10.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.681 -0.771 . . . . 15.0 113.483 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.508 ' HE3' ' CE3' ' A' ' 457' ' ' TRP . 29.0 mtpp -117.26 129.43 55.91 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 111.668 0.248 . . . . 15.0 111.668 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.017 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -91.42 149.89 21.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 118.432 -1.307 . . . . 15.0 108.81 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 2.3 p90 -137.16 130.43 31.09 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -89.94 122.11 32.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.832 . . . . 15.0 109.854 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 436' ' ' THR . 11.0 t80 -97.72 119.67 36.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.217 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 17.7 t-20 -92.11 124.0 35.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.056 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -80.92 -5.11 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.767 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.703 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 24.8 ttm180 -78.36 -40.85 35.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.868 0.366 . . . . 15.0 110.829 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.434 HG22 ' OD1' ' A' ' 449' ' ' ASN . 7.0 t -129.34 9.56 5.63 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.35 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 64.1 mt 62.51 27.49 16.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.525 -0.761 . . . . 15.0 110.692 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.28 127.31 46.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.427 -0.351 . . . . 15.0 110.93 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.4 p -104.37 112.26 25.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.585 -0.28 . . . . 15.0 110.933 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -125.5 133.05 52.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.747 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.9 m95 -64.39 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 15.0 111.204 -175.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.43 125.46 35.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.408 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 20.0 ptmt -63.68 140.08 97.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.402 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 86.2 Cg_endo -73.91 168.8 23.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.194 2.596 . . . . 15.0 112.02 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.74 -29.03 70.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.923 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 3.3 mp0 -64.6 -19.25 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 15.0 111.186 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -116.57 -1.33 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.18 0.514 . . . . 15.0 110.529 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.488 ' NZ ' ' HB3' ' A' ' 464' ' ' LYS . 1.2 ttpm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.794 -0.622 . . . . 15.0 110.814 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.046 -0.421 . . . . 15.0 112.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 69.14 153.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.494 0.717 . . . . 15.0 111.325 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.8 t -109.1 122.31 47.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.49 0.662 . . . . 15.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -167.12 163.89 15.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 15.0 109.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 81.5 t 68.4 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 123.808 0.693 . . . . 15.0 110.803 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 89.0 p 53.21 26.5 5.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.351 0.66 . . . . 15.0 110.49 -174.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.539 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 6.9 pt-20 -77.33 0.54 21.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.194 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.619 ' HB2' HD22 ' A' ' 463' ' ' LEU . 13.8 m95 -100.1 150.16 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.499 . . . . 15.0 110.143 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 10.5 m -128.89 121.33 27.91 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.869 -0.789 . . . . 15.0 108.869 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.79 150.33 22.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.731 0.776 . . . . 15.0 110.44 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.0 150.32 46.87 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.405 -2.072 . . . . 15.0 105.405 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.04 147.42 44.13 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.798 -1.561 . . . . 15.0 112.302 -173.643 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.3 p -89.69 150.34 22.38 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.566 -1.197 . . . . 15.0 109.099 173.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.12 -30.12 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.82 -0.64 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.762 0.282 . . . . 15.0 111.762 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 61.23 1.34 Allowed Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.811 -0.709 . . . . 15.0 113.239 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.547 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.259 54.3 mttp -136.77 127.89 27.89 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 122.397 0.279 . . . . 15.0 110.818 175.399 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.995 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -96.06 150.21 20.74 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 117.944 -1.502 . . . . 15.0 109.207 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.49 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 2.3 p90 -144.23 131.72 21.0 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.802 -0.444 . . . . 15.0 109.802 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 455' ' ' SER . 86.8 m-85 -89.91 124.61 34.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.714 . . . . 15.0 110.695 -172.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.0 t80 -104.5 120.01 40.29 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.568 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.6 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 4.2 t-20 -89.82 118.73 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.469 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -75.25 -10.32 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.2 ptt180 -93.25 -16.74 24.44 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 119.927 -0.709 . . . . 15.0 112.085 -174.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 454' ' ' GLU . 15.3 t -143.29 9.7 1.66 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.37 -0.532 . . . . 15.0 110.745 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.0 mt 64.95 23.15 12.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.09 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.616 ' HB2' HG23 ' A' ' 452' ' ' THR . 38.8 tt0 -90.23 116.76 28.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.401 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.5 m -110.83 125.46 53.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.656 0.265 . . . . 15.0 111.15 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.23 146.19 33.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.718 -0.475 . . . . 15.0 109.718 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.2 m95 -73.49 -21.89 60.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.66 141.76 28.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.071 -174.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 44.6 mtpt -65.96 118.21 49.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.958 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.428 ' HG3' ' CH2' ' A' ' 435' ' ' TRP . 96.3 Cg_endo -78.34 168.27 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.586 2.191 . . . . 15.0 110.977 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.646 ' HG3' ' HD3' ' A' ' 464' ' ' LYS . 35.9 tt0 -73.63 -12.22 60.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.47 0.652 . . . . 15.0 109.515 178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.11 -0.26 27.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.148 -0.933 . . . . 15.0 110.962 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.619 HD22 ' HB2' ' A' ' 435' ' ' TRP . 25.4 tp -152.3 21.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.358 . . . . 15.0 110.575 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.646 ' HD3' ' HG3' ' A' ' 461' ' ' GLN . 21.4 pttp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 119.053 -0.499 . . . . 15.0 111.172 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.171 -0.371 . . . . 15.0 112.171 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -107.65 20.44 18.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.73 0.265 . . . . 15.0 111.71 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.9 p -68.36 -41.75 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.919 0.39 . . . . 15.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.06 105.32 12.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.128 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.2 m -90.68 8.64 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.602 0.715 . . . . 15.0 110.157 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.4 p -85.26 13.88 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.971 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.603 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 42.2 mt-10 -70.4 0.62 6.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.896 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 5.0 m95 -109.09 149.67 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.352 0.596 . . . . 15.0 111.219 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 27.5 m -136.97 118.08 14.41 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.438 -0.949 . . . . 15.0 108.438 171.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 1.0 OUTLIER -90.03 150.59 22.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.691 0.758 . . . . 15.0 111.282 -178.022 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -135.23 150.32 50.05 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.466 -2.049 . . . . 15.0 105.466 -167.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.009 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.76 139.01 52.97 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 117.057 -1.857 . . . . 15.0 112.13 -175.203 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.586 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.0 p -89.75 150.07 22.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.066 -0.97 . . . . 15.0 110.098 173.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.55 -29.95 28.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.174 0.805 . . . . 15.0 113.174 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.25 -1.58 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.824 0.305 . . . . 15.0 111.824 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 60.91 1.36 Allowed Glycine 0 C--N 1.329 0.15 0 C-N-CA 120.937 -0.649 . . . . 15.0 112.372 177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.586 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.2 mmmm -146.81 126.92 13.74 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 111.949 0.351 . . . . 15.0 111.949 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.009 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.3 t -96.23 150.15 20.86 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.7 -1.2 . . . . 15.0 109.51 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -138.58 128.91 25.86 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 171.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -89.79 119.55 30.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.448 -0.575 . . . . 15.0 109.448 -173.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.566 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 4.5 t80 -97.63 116.27 29.52 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.553 -0.749 . . . . 15.0 110.126 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.87 117.47 28.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.255 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.65 -1.28 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.596 0.236 . . . . 15.0 111.3 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.603 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 38.9 ttp180 -89.48 -16.87 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 15.0 111.178 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.43 HG23 ' CB ' ' A' ' 454' ' ' GLU . 9.8 t -145.39 10.07 1.25 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.191 0.519 . . . . 15.0 109.823 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 53.4 mt 59.01 24.38 12.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.123 -0.944 . . . . 15.0 110.988 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.43 ' CB ' HG23 ' A' ' 452' ' ' THR . 8.6 tp10 -99.4 138.21 36.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.191 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -113.06 119.62 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.47 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -129.82 144.49 51.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.251 -0.278 . . . . 15.0 110.251 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -85.98 -13.56 47.23 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.098 0.475 . . . . 15.0 110.77 -175.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.7 mt-10 -100.26 158.36 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.903 -173.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.06 108.79 28.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.219 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 69.7 Cg_endo -84.63 -179.74 3.94 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.171 2.58 . . . . 15.0 112.023 -177.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.9 -9.49 15.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.105 0.478 . . . . 15.0 111.27 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -93.88 -9.05 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.253 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 28.4 tp -157.72 29.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 15.0 110.645 -172.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.617 -0.706 . . . . 15.0 110.958 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.291 -0.324 . . . . 15.0 112.291 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.89 124.73 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 20.8 p -124.94 129.03 49.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.624 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 73.87 125.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.308 1.005 . . . . 15.0 112.454 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.8 p -160.25 140.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.519 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.5 p -96.12 -104.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.612 -0.267 . . . . 15.0 111.619 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.692 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 4.5 pt-20 -91.86 8.06 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.337 0.589 . . . . 15.0 110.535 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 11.5 m95 -96.57 150.39 20.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.69 -0.686 . . . . 15.0 110.615 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.7 m -120.44 101.45 7.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.91 150.5 22.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.887 0.851 . . . . 15.0 111.214 -176.472 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 77.8 m-85 -136.53 150.73 48.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 105.067 -2.198 . . . . 15.0 105.067 -169.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.001 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -119.06 139.7 51.3 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.341 -1.744 . . . . 15.0 112.477 -175.419 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.3 p -89.96 150.3 22.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.963 -1.017 . . . . 15.0 109.91 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.15 40.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.816 0.673 . . . . 15.0 112.816 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.412 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.3 p-10 -73.22 -2.26 21.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.661 0.267 . . . . 15.0 111.655 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 55.9 1.92 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.987 -0.625 . . . . 15.0 112.625 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.529 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.263 31.4 mtmm -138.81 134.47 33.44 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 178.336 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.001 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 8.8 t -96.6 149.97 21.18 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 119.19 -1.004 . . . . 15.0 109.265 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.612 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -135.87 123.99 23.0 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.726 -0.842 . . . . 15.0 108.726 170.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.497 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 91.2 m-85 -89.68 119.43 30.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.186 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 4.6 t80 -92.79 119.43 32.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.886 -0.597 . . . . 15.0 109.432 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.465 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.6 t-20 -89.64 113.06 24.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.207 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -71.88 -6.72 43.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.733 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.692 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 40.2 ttp180 -79.28 -26.53 42.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.392 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -136.33 5.76 3.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.447 0.642 . . . . 15.0 109.766 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.1 mt 64.31 17.94 11.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.912 -1.04 . . . . 15.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 452' ' ' THR . 50.0 mt-10 -110.7 130.97 55.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.663 -174.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 23.3 t -104.76 135.76 45.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.433 . . . . 15.0 110.483 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -137.36 146.04 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.811 -0.441 . . . . 15.0 109.811 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.612 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.6 m95 -79.01 -24.42 43.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.183 0.516 . . . . 15.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -87.44 123.39 32.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.836 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.23 116.83 46.25 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.582 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.475 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 96.8 Cg_endo -81.67 -175.67 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.799 2.333 . . . . 15.0 111.898 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -61.82 -14.51 33.82 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.69 -29.19 69.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 15.0 111.097 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.7 tp -128.72 5.33 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.566 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 27.0 mtpp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 15.0 110.805 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.114 -0.395 . . . . 15.0 112.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -79.77 125.23 29.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.651 0.226 . . . . 15.0 110.589 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 33.5 m -75.85 82.03 2.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.469 0.652 . . . . 15.0 110.845 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -149.0 116.58 6.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.526 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.1 m -98.0 138.2 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.314 0.578 . . . . 15.0 111.738 -176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 31.8 p -114.65 10.77 16.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.343 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.665 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 -71.28 8.62 0.96 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.643 -1.162 . . . . 15.0 111.033 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 14.4 m95 -128.27 150.09 50.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.12 0.486 . . . . 15.0 111.0 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 28.3 m -132.12 114.26 14.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.82 -0.807 . . . . 15.0 108.82 171.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -90.15 150.76 21.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.97 0.891 . . . . 15.0 111.524 -177.256 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -137.46 150.49 47.63 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 105.717 -1.956 . . . . 15.0 105.717 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.996 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -120.15 139.07 53.16 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 117.54 -1.664 . . . . 15.0 112.421 -174.761 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.8 p -89.94 150.29 22.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.507 -1.224 . . . . 15.0 110.298 175.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.57 -29.91 18.94 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -78.04 -1.66 33.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 59.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.679 -0.772 . . . . 15.0 112.641 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.495 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 49.6 mtmt -144.84 132.76 21.31 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 122.432 0.293 . . . . 15.0 111.338 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.996 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 7.5 t -95.2 150.04 20.65 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 118.781 -1.168 . . . . 15.0 109.174 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.597 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -135.83 127.49 28.99 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 455' ' ' SER . 66.9 m-85 -89.65 116.8 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.527 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.544 ' HE1' ' OD1' ' A' ' 450' ' ' ASN . 4.8 t80 -92.98 120.14 32.97 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.258 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.665 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 3.8 t-20 -98.15 116.4 30.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.376 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.544 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 3.7 m-80 -69.1 -17.85 63.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.337 0.589 . . . . 15.0 110.46 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.466 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 38.2 ttp180 -69.6 -26.64 64.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.38 -0.827 . . . . 15.0 112.0 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 454' ' ' GLU . 5.6 t -140.8 6.77 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 15.0 110.15 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.7 mt 63.34 20.51 12.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 452' ' ' THR . 40.0 tt0 -100.24 124.86 46.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.2 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 6.5 m -106.24 117.88 35.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.491 177.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -128.65 145.52 51.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.314 . . . . 15.0 110.402 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.597 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.6 m95 -81.57 -14.72 56.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.275 -0.421 . . . . 15.0 111.937 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -106.82 135.45 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.832 0.348 . . . . 15.0 111.055 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -57.79 127.03 78.12 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.681 -0.69 . . . . 15.0 112.468 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 60.4 Cg_endo -72.05 167.44 26.75 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.803 2.335 . . . . 15.0 111.391 172.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.94 -15.97 64.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.214 0.531 . . . . 15.0 110.554 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.61 -20.77 56.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.125 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -113.49 -9.02 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.915 -169.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.527 -0.749 . . . . 15.0 109.957 178.732 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.538 -0.225 . . . . 15.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.15 40.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.735 0.302 . . . . 15.0 110.271 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 22.3 m 73.5 -61.46 0.5 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.485 -0.78 . . . . 15.0 111.119 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -87.16 84.38 7.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.031 0.443 . . . . 15.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 435' ' ' TRP . 12.7 p -135.85 151.08 28.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.444 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.1 p -111.48 -90.15 0.49 Allowed 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.478 0.548 . . . . 15.0 112.478 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.09 12.33 2.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 15.0 111.857 -172.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.484 ' HZ2' ' HG3' ' A' ' 462' ' ' GLU . 11.6 m95 -122.44 150.16 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.184 0.516 . . . . 15.0 111.442 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.8 m -128.9 112.8 14.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.168 -0.924 . . . . 15.0 108.916 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.7 pt-20 -90.01 150.18 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.4 0.619 . . . . 15.0 110.362 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 59.0 m-85 -135.85 150.4 49.37 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 105.356 -2.09 . . . . 15.0 105.356 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.979 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.8 OUTLIER -120.92 140.41 51.87 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 117.616 -1.633 . . . . 15.0 112.594 -176.292 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.726 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 40.5 p -90.1 150.27 22.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.206 168.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.05 21.03 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.319 0.859 . . . . 15.0 113.319 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.04 1.53 17.69 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.872 0.323 . . . . 15.0 111.872 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.54 4.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.671 -0.776 . . . . 15.0 112.644 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.726 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.8 mmtm -122.24 120.65 34.78 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 119.261 -0.399 . . . . 15.0 111.794 177.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.979 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.3 t -96.88 150.07 21.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 117.519 -1.672 . . . . 15.0 108.46 174.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 1.1 p90 -136.06 125.18 24.46 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.161 0.505 . . . . 15.0 109.875 172.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.65 115.42 27.02 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.432 -174.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.9 t80 -93.34 120.26 33.41 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.991 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.444 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.8 t-20 -89.94 113.85 25.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.088 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.17 -8.66 47.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 15.0 111.041 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.444 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 59.2 ttp180 -83.11 -21.91 33.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.695 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.621 HG23 ' HB3' ' A' ' 454' ' ' GLU . 5.2 t -136.25 4.27 2.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.995 0.426 . . . . 15.0 110.069 -178.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.6 mt 61.7 19.32 10.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.234 -0.893 . . . . 15.0 110.383 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.621 ' HB3' HG23 ' A' ' 452' ' ' THR . 43.2 tt0 -112.01 129.56 56.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.998 -0.547 . . . . 15.0 111.324 -172.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 26.3 t -110.16 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.961 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.72 137.74 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 4.3 m95 -78.66 -21.74 47.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.536 0.684 . . . . 15.0 109.893 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.42 137.04 36.08 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 46.7 mtpt -54.9 116.55 11.51 Favored Pre-proline 0 C--O 1.233 0.229 0 O-C-N 123.66 0.6 . . . . 15.0 111.799 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.19 161.18 29.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.831 2.354 . . . . 15.0 111.409 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -63.81 -17.21 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.407 0.622 . . . . 15.0 110.4 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG3' ' HZ2' ' A' ' 435' ' ' TRP . 10.2 mm-40 -71.16 -14.94 62.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.314 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.4 tp -137.65 16.62 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 15.0 110.355 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.2 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.511 -0.757 . . . . 15.0 110.645 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.751 -0.539 . . . . 15.0 111.751 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.09 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.817 0.341 . . . . 15.0 110.97 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.5 m -138.27 95.4 3.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.212 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 462' ' ' GLU . . . -112.6 44.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.288 0.566 . . . . 15.0 110.576 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.31 139.91 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.314 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.0 m 75.46 4.89 4.08 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.851 0.72 . . . . 15.0 112.404 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -81.7 -2.79 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.18 -1.045 . . . . 15.0 108.18 172.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 16.0 m95 -121.59 150.04 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.604 -1.18 . . . . 15.0 110.367 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 31.2 m -126.72 113.83 17.18 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 173.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 4.8 pt-20 -89.74 150.17 22.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.616 0.722 . . . . 15.0 110.285 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 94.2 m-85 -134.73 150.35 50.57 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 105.329 -2.1 . . . . 15.0 105.329 -172.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.96 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.48 145.28 46.44 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 117.658 -1.617 . . . . 15.0 112.26 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -90.06 150.17 22.2 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.1 171.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.95 60.84 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.193 0.442 . . . . 15.0 112.193 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -77.84 1.77 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.367 -0.378 . . . . 15.0 111.931 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 61.59 1.34 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.728 -0.748 . . . . 15.0 113.093 173.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.575 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.1 mmmm -144.32 125.37 14.47 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 119.461 -0.304 . . . . 15.0 111.501 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.96 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 4.8 t -96.93 150.2 21.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.186 -1.406 . . . . 15.0 108.74 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.32 128.02 23.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.022 0.439 . . . . 15.0 110.066 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -89.84 116.41 27.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.048 -172.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -91.14 122.27 33.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.193 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 4.6 t-20 -96.49 124.88 40.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.261 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.54 -26.14 57.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.335 0.588 . . . . 15.0 110.341 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -66.71 -22.5 66.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.102 -0.954 . . . . 15.0 112.817 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 454' ' ' GLU . 9.8 t -136.06 4.98 3.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.99 21.55 9.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.632 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.531 ' HB3' HG23 ' A' ' 452' ' ' THR . 8.9 tp10 -113.42 141.06 47.53 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.261 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 20.7 t -111.36 125.29 53.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.069 0.461 . . . . 15.0 110.629 -176.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.69 133.98 54.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.5 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.1 m95 -70.48 -21.62 62.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.678 . . . . 15.0 110.094 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 458' ' ' GLU . 5.9 pt-20 -93.25 136.43 33.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.67 -175.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 40.9 ttmt -75.04 125.33 89.38 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 15.0 111.702 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 84.7 Cg_endo -75.07 161.54 38.39 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.372 2.715 . . . . 15.0 112.227 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 464' ' ' LYS . 26.0 tp60 -66.19 -21.99 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.296 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 431' ' ' ALA . 1.9 mp0 -70.42 -16.22 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.358 . . . . 15.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.5 tp -127.16 4.5 6.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.258 0.552 . . . . 15.0 110.31 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 461' ' ' GLN . 10.9 tptp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.467 -0.777 . . . . 15.0 110.96 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.467 ' HG3' ' HG3' ' A' ' 451' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.07 0.462 . . . . 15.0 110.69 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.435 ' CH2' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 -99.07 150.08 22.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.158 0.504 . . . . 15.0 110.754 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 5.2 m -124.22 110.8 15.1 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.57 -0.9 . . . . 15.0 108.57 173.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 2.9 pt-20 -89.98 150.38 22.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.762 0.791 . . . . 15.0 110.616 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -134.99 150.35 50.33 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 105.435 -2.061 . . . . 15.0 105.435 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -122.55 140.14 53.12 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 117.568 -1.653 . . . . 15.0 112.325 -175.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 56.3 p -89.73 150.33 22.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.878 -1.056 . . . . 15.0 109.298 171.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.74 -29.97 55.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -172.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -78.16 3.41 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 58.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.672 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.62 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 64.3 mttm -141.51 124.06 15.89 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-O 119.577 -0.249 . . . . 15.0 111.372 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.995 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.59 150.05 21.09 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.567 -1.253 . . . . 15.0 109.397 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.2 p90 -137.53 125.09 22.15 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 171.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 84.8 m-85 -89.85 122.47 32.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.173 -173.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -101.85 119.79 39.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.428 -0.805 . . . . 15.0 109.86 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.435 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 26.8 t-20 -89.9 118.81 29.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.752 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -74.76 -5.04 41.13 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.611 0.597 . . . . 15.0 112.611 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HG3' ' HG3' ' A' ' 434' ' ' GLU . 14.5 mtm180 -80.41 -44.75 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.768 -0.373 . . . . 15.0 110.433 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.2 t -122.15 7.61 9.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.56 0.695 . . . . 15.0 109.937 -175.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 39.8 mt 64.21 20.32 12.13 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.054 -0.976 . . . . 15.0 110.882 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' A' ' 452' ' ' THR . 33.0 mt-10 -93.2 123.57 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 15.0 112.002 -171.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 11.4 p -102.78 122.63 44.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.047 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -137.6 142.13 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 15.0 110.111 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.7 m95 -74.61 -25.42 59.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.196 0.522 . . . . 15.0 110.677 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -84.91 131.13 34.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.078 -172.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -60.96 117.34 24.69 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.033 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.91 159.07 39.77 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.559 2.839 . . . . 15.0 112.542 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.46 -29.15 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 15.0 111.184 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.8 -12.37 60.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 15.0 111.196 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.9 tp -129.31 17.96 5.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.474 0.654 . . . . 15.0 110.208 -175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.452 -0.785 . . . . 15.0 109.764 -179.055 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 121.548 0.69 . . . . 15.0 110.2 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.1 m95 -110.84 150.18 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.394 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.3 m -126.51 123.85 38.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.257 173.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -98.8 150.78 21.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.994 0.902 . . . . 15.0 112.385 -176.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -137.5 150.62 47.69 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.883 -1.895 . . . . 15.0 105.883 -167.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.0 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -118.12 141.68 48.23 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 117.71 -1.596 . . . . 15.0 112.857 -175.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.599 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 37.8 p -90.31 150.3 21.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.968 -1.014 . . . . 15.0 109.962 170.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.66 -29.88 53.8 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.34 3.2 18.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 64.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.425 -0.893 . . . . 15.0 112.714 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.599 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 48.6 mttp -149.3 123.62 9.6 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 119.531 -0.271 . . . . 15.0 111.619 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.0 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.9 t -92.8 140.52 29.43 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.032 -1.467 . . . . 15.0 108.753 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.559 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.1 p90 -126.81 127.61 45.28 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 57.4 m-85 -89.67 125.33 35.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.375 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 436' ' ' THR . 4.0 t80 -106.35 121.96 45.28 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.991 -176.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.45 ' OD1' HG22 ' A' ' 452' ' ' THR . 27.0 t-20 -91.35 131.41 36.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.217 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.406 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 44.5 m-80 -84.53 -23.78 29.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 15.0 111.508 -174.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 451' ' ' ARG . 10.1 ttp180 -75.74 -36.47 59.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.722 -0.672 . . . . 15.0 112.389 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.45 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.3 t -126.79 10.8 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.768 0.318 . . . . 15.0 110.547 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.9 mt 59.32 30.49 20.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.719 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.416 ' HB2' HG23 ' A' ' 452' ' ' THR . 40.9 tt0 -95.96 111.73 23.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.57 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 7.9 p -102.55 120.79 41.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.779 0.324 . . . . 15.0 110.541 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.94 150.03 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.379 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.2 m95 -84.57 -11.81 55.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.383 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -97.89 155.12 17.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.954 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 65.3 mttt -76.05 124.88 88.52 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.084 0.469 . . . . 15.0 111.875 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -85.42 -174.15 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.21 2.607 . . . . 15.0 111.793 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -75.15 -17.89 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.292 0.568 . . . . 15.0 110.564 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.54 0.8 57.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 15.0 112.079 -176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 19.3 tp -154.41 23.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.014 0.435 . . . . 15.0 110.903 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.3 ttpm? . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.807 -0.633 . . . . 15.0 111.124 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.419 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 56.9 mt-10 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.918 0.389 . . . . 15.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.513 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 3.6 m95 -118.64 150.11 40.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.274 0.559 . . . . 15.0 110.518 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.5 m -132.1 119.16 20.58 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.369 -0.832 . . . . 15.0 109.052 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.62 150.3 22.44 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.444 0.64 . . . . 15.0 110.01 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -137.99 150.26 46.83 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 105.484 -2.043 . . . . 15.0 105.484 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.947 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -116.67 142.43 46.91 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 117.626 -1.629 . . . . 15.0 112.679 -176.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.0 p -89.87 150.28 22.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.532 -1.213 . . . . 15.0 109.623 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.84 60.25 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.656 0.382 . . . . 15.0 111.684 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -74.58 -1.5 21.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.452 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 53.57 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.829 -0.701 . . . . 15.0 113.359 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.556 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 59.2 mttp -136.24 129.85 32.19 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 111.64 0.237 . . . . 15.0 111.64 177.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.947 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.2 t -95.86 150.04 20.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.15 -1.42 . . . . 15.0 108.682 174.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 3.6 p90 -142.63 128.41 19.33 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.265 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.419 -174.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 10.9 t80 -96.85 118.78 34.03 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.018 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 4.7 t-20 -91.36 118.98 30.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.653 -0.249 . . . . 15.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -75.22 -7.0 52.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.102 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 44.6 ttp180 -83.05 -26.0 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.338 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.493 HG23 ' CB ' ' A' ' 454' ' ' GLU . 8.9 t -142.2 11.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.557 . . . . 15.0 110.02 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.0 mt 57.87 26.44 13.28 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.3 -0.864 . . . . 15.0 110.803 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.493 ' CB ' HG23 ' A' ' 452' ' ' THR . 31.4 tt0 -107.62 135.66 48.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.657 -172.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -115.03 124.37 51.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.239 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -128.73 138.19 51.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.9 0.381 . . . . 15.0 110.004 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.438 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.6 m95 -77.22 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 15.0 109.972 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.89 149.19 22.15 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.993 -1.003 . . . . 15.0 110.427 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.2 120.21 79.08 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.118 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.72 161.43 28.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.441 2.761 . . . . 15.0 112.846 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.37 -17.11 62.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.275 0.559 . . . . 15.0 110.761 -177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.87 -5.25 53.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.194 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 30.0 tp -131.48 4.98 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.843 -175.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.401 -0.809 . . . . 15.0 110.462 -177.227 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.548 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 66.4 mt-10 . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 121.183 0.516 . . . . 15.0 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.556 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.0 m95 -111.54 148.49 33.11 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.202 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 19.2 m -129.76 112.28 13.46 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.624 -0.88 . . . . 15.0 108.624 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -90.08 150.53 22.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.849 0.833 . . . . 15.0 111.204 -175.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -137.58 150.73 47.68 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 105.452 -2.055 . . . . 15.0 105.452 -167.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.987 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.01 143.64 47.95 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 117.723 -1.591 . . . . 15.0 112.387 -171.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 41.7 p -89.67 150.27 22.42 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.945 -1.025 . . . . 15.0 109.448 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.24 -30.06 48.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.686 0.625 . . . . 15.0 112.686 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -80.71 2.66 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.676 -0.238 . . . . 15.0 111.562 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 62.18 1.29 Allowed Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.989 -0.624 . . . . 15.0 113.384 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.631 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.9 mttt -146.18 128.38 15.72 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 111.69 0.256 . . . . 15.0 111.69 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.987 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.2 t -96.22 150.01 21.01 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.643 -1.223 . . . . 15.0 109.216 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -138.17 126.9 23.68 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 109.236 -0.654 . . . . 15.0 109.236 172.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.71 118.05 29.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.733 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.487 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.4 t80 -96.51 120.57 37.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.383 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 21.8 t-20 -97.8 128.22 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 15.0 111.272 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -80.01 -2.13 42.76 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.838 0.681 . . . . 15.0 112.838 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.548 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 31.3 mtm-85 -86.91 -27.32 23.44 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.593 -0.443 . . . . 15.0 111.194 -178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.3 t -132.02 5.05 4.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.728 -0.471 . . . . 15.0 109.728 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 66.7 mt 59.69 24.57 13.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.228 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -108.27 137.5 46.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.795 -172.012 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 t -110.65 128.56 55.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.593 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -126.6 138.2 53.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -75.75 -17.89 59.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 15.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -84.85 134.59 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.135 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.3 tttt -67.1 121.79 79.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.28 -173.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.713 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 53.0 Cg_endo -69.07 157.11 63.02 Favored 'Trans proline' 0 CA--C 1.521 -0.154 0 C-N-CA 123.108 2.539 . . . . 15.0 111.961 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.637 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 21.3 tt0 -84.0 -11.68 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.036 0.446 . . . . 15.0 110.688 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.02 -2.01 57.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 15.0 109.77 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.713 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -139.81 14.89 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.553 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.4 ttpt . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.426 -0.797 . . . . 15.0 110.452 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.774 0.321 . . . . 15.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -100.74 147.82 25.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.237 0.541 . . . . 15.0 110.739 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 m -125.34 116.87 22.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.817 -0.809 . . . . 15.0 108.817 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -89.79 150.27 22.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.889 0.852 . . . . 15.0 110.911 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.15 150.58 49.13 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 105.423 -2.065 . . . . 15.0 105.423 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.001 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -121.42 142.17 50.28 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.648 -1.621 . . . . 15.0 112.46 -175.278 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.61 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 47.7 p -89.73 150.37 22.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.88 -1.054 . . . . 15.0 109.656 172.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.56 -29.89 27.88 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.663 0.616 . . . . 15.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.82 0.46 26.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.708 0.289 . . . . 15.0 111.477 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 53.44 2.35 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.911 -0.661 . . . . 15.0 113.097 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.61 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.27 23.9 mttm -132.29 129.76 39.97 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 119.435 -0.317 . . . . 15.0 111.715 177.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.001 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.6 t -96.62 150.23 20.9 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 118.031 -1.467 . . . . 15.0 108.92 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.5 p90 -142.02 128.8 20.5 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.027 0.441 . . . . 15.0 109.93 173.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -89.86 121.71 32.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.378 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 0.2 OUTLIER -102.71 123.39 46.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 15.0 110.078 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.576 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 20.7 t-20 -89.95 118.56 29.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.782 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -72.5 -6.78 46.17 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.063 0.394 . . . . 15.0 112.063 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.576 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.2 ttp180 -82.84 -23.72 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 15.0 111.049 -175.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -147.69 9.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 15.0 111.104 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.9 mt 62.06 28.44 17.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.678 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.484 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.1 tp10 -95.2 118.23 31.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.513 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 39.2 t -107.54 126.66 52.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.635 0.255 . . . . 15.0 110.602 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -146.36 142.33 28.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 15.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 2.2 m95 -72.19 -30.87 65.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.427 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -76.31 126.52 31.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.406 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -51.24 118.33 10.52 Favored Pre-proline 0 C--O 1.234 0.241 0 O-C-N 123.841 0.713 . . . . 15.0 111.06 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.485 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 27.4 Cg_endo -62.6 144.37 94.21 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.1 2.533 . . . . 15.0 113.067 -175.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.58 -15.08 62.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.934 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -81.07 -8.96 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.197 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.485 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -144.06 23.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.404 -174.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.129 -0.938 . . . . 15.0 111.196 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 6.1 tp10 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.313 0.578 . . . . 15.0 110.463 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 23.5 m95 -113.67 149.73 34.24 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.276 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.0 m -132.74 121.24 22.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.223 -0.899 . . . . 15.0 108.833 171.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -89.76 150.52 22.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 15.0 111.633 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -136.32 150.51 48.91 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 105.78 -1.933 . . . . 15.0 105.78 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.981 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.6 141.86 49.92 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 117.631 -1.628 . . . . 15.0 112.62 -174.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.715 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.2 p -90.15 150.14 22.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.979 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.45 -30.26 39.7 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.036 0.754 . . . . 15.0 113.036 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.5 -1.57 31.12 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.93 0.344 . . . . 15.0 111.93 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 65.13 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.556 -0.83 . . . . 15.0 112.416 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.715 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 95.7 mttt -145.03 125.43 13.92 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 122.703 0.401 . . . . 15.0 111.209 177.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.981 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.8 t -94.57 150.06 20.62 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.005 -1.478 . . . . 15.0 108.812 174.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.511 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 3.1 p90 -142.54 132.03 23.73 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.723 -0.473 . . . . 15.0 109.723 173.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -89.79 122.19 32.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.173 -170.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 2.6 t80 -95.45 121.15 36.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.399 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.525 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 19.4 t-20 -98.39 121.42 40.31 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.401 -177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.92 -12.25 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.613 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.525 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.4 ttp180 -71.52 -26.85 62.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.266 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.486 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -146.4 11.69 1.16 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.967 0.413 . . . . 15.0 110.332 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 62.17 24.23 14.4 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.351 -0.841 . . . . 15.0 111.605 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB2' HG23 ' A' ' 452' ' ' THR . 58.9 mm-40 -101.42 131.16 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.225 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -117.29 124.56 49.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.524 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -142.34 150.34 40.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.472 . . . . 15.0 110.367 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.1 m95 -71.29 -7.5 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.967 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.9 136.08 33.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.609 0.242 . . . . 15.0 110.985 -172.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -61.85 117.4 28.39 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.246 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 143.97 28.3 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.472 2.781 . . . . 15.0 112.852 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -63.57 -29.01 70.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 15.0 109.955 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.64 -9.85 59.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.916 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.78 16.32 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 15.0 110.621 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.751 -0.642 . . . . 15.0 111.097 -175.493 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.414 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 23.4 tt0 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 121.62 0.724 . . . . 15.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -107.72 149.95 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.696 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.2 m -126.41 114.85 18.74 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.974 -0.75 . . . . 15.0 108.974 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -90.03 150.72 21.99 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.803 0.811 . . . . 15.0 110.873 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 74.5 m-85 -136.94 150.46 48.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 105.396 -2.075 . . . . 15.0 105.396 -171.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.976 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.22 138.18 53.78 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 117.644 -1.622 . . . . 15.0 112.245 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 69.1 p -89.76 150.05 22.45 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.785 174.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.16 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.67 0.619 . . . . 15.0 112.67 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.45 1.18 17.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.845 0.313 . . . . 15.0 111.845 -177.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 15.0 112.808 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.605 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.271 30.1 mmmt -139.61 129.98 25.46 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 119.166 -0.445 . . . . 15.0 111.537 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.976 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.0 t -96.9 150.09 21.14 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.282 -1.367 . . . . 15.0 108.365 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.475 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -137.47 124.97 22.07 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 67.1 m-85 -89.89 116.17 27.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.296 -0.866 . . . . 15.0 109.463 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.7 t80 -97.96 117.65 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.757 -175.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 23.3 t-20 -90.05 115.65 27.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.268 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -75.33 -0.55 20.12 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.977 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 41.6 ttp-105 -90.04 -26.63 20.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.626 -0.261 . . . . 15.0 111.375 -175.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.678 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.7 t -137.24 11.19 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.11 0.481 . . . . 15.0 110.313 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 56.7 mt 63.46 20.12 12.07 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.032 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG23 ' A' ' 452' ' ' THR . 34.6 mm-40 -98.79 128.43 45.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.01 0.374 . . . . 15.0 112.01 -172.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.2 t -101.14 125.57 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 15.0 109.819 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -131.63 140.41 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.0 m95 -90.16 -8.99 49.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 15.0 110.673 -173.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.4 142.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.687 -173.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -64.03 115.31 18.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 15.0 112.296 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 92.1 Cg_endo -79.86 172.96 13.4 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.927 2.418 . . . . 15.0 111.139 174.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.62 -15.32 63.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.004 0.43 . . . . 15.0 111.532 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG2' ' H ' ' A' ' 462' ' ' GLU . 3.6 pt-20 -96.2 8.3 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.379 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 20.3 tp -157.46 24.87 0.29 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.727 -0.389 . . . . 15.0 111.53 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.993 -1.003 . . . . 15.0 110.831 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.075 0.464 . . . . 15.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -89.73 146.44 24.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.522 0.677 . . . . 15.0 110.242 -175.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 4.1 m -119.14 105.57 11.52 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.129 -0.941 . . . . 15.0 109.161 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.83 150.51 22.21 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.622 0.725 . . . . 15.0 110.377 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -134.9 150.36 50.42 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.064 -2.199 . . . . 15.0 105.064 -170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.967 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.07 137.37 54.84 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 117.364 -1.735 . . . . 15.0 111.892 -177.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.789 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 74.7 p -89.78 150.23 22.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.756 -1.111 . . . . 15.0 110.146 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.93 -29.55 29.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.812 1.041 . . . . 15.0 113.812 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.92 5.37 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 15.0 111.497 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 53.95 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.923 -0.656 . . . . 15.0 112.13 176.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.789 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 23.5 mmtp -134.84 129.15 34.02 Favored 'General case' 0 CA--C 1.478 -1.816 0 N-CA-C 112.933 0.716 . . . . 15.0 112.933 -176.323 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.967 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 m -99.73 150.1 22.66 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.526 -0.869 . . . . 15.0 109.139 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.4 OUTLIER -143.53 123.99 13.95 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.471 -0.566 . . . . 15.0 109.471 167.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 71.4 m-85 -89.76 124.08 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.351 -0.841 . . . . 15.0 109.545 -173.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.525 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.3 t80 -104.24 124.28 48.85 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.607 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.77 118.75 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.951 -0.568 . . . . 15.0 109.835 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.0 -11.18 60.65 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -78.28 -26.03 46.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 15.0 111.652 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.3 t -140.73 6.62 2.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.446 0.641 . . . . 15.0 109.605 -176.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 63.35 21.02 12.59 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.165 -0.925 . . . . 15.0 110.898 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.525 ' HB2' HG23 ' A' ' 452' ' ' THR . 79.9 mm-40 -107.18 134.41 50.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.403 -173.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.425 ' HB3' ' HB2' ' A' ' 448' ' ' TYR . 18.0 p -125.4 133.18 52.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.738 0.304 . . . . 15.0 111.621 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -135.41 149.97 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.627 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.5 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 1.7 m95 -81.86 -7.7 59.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.244 -0.434 . . . . 15.0 111.385 -174.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.04 111.89 24.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.031 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.701 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 14.6 ttmm -35.43 110.51 0.42 Allowed Pre-proline 0 N--CA 1.469 0.497 0 O-C-N 124.419 1.074 . . . . 15.0 112.822 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 35.1 Cg_endo -65.08 153.16 79.64 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.486 2.791 . . . . 15.0 112.644 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.44 -29.3 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.559 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -75.64 -7.88 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 15.0 111.278 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.7 tp -143.92 22.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 15.0 109.725 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.701 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 25.1 ttmm . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.206 -0.902 . . . . 15.0 110.373 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.883 0.373 . . . . 15.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 7.8 m95 -110.51 150.18 29.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.262 0.554 . . . . 15.0 111.728 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 27.4 m -133.85 118.06 17.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.29 -0.868 . . . . 15.0 108.939 173.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.3 OUTLIER -89.89 150.66 22.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.004 0.907 . . . . 15.0 111.51 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -134.31 150.36 50.96 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 105.101 -2.185 . . . . 15.0 105.101 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.41 145.27 48.44 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.647 -1.621 . . . . 15.0 112.401 -175.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 59.0 p -89.91 150.15 22.31 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.544 -1.207 . . . . 15.0 109.023 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.41 -29.52 35.42 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.181 0.437 . . . . 15.0 112.181 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.38 4.57 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.246 0.461 . . . . 15.0 112.246 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 40.76 5.8 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.88 -0.676 . . . . 15.0 113.808 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.543 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 52.8 mtpt -124.59 128.1 48.39 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 t -98.25 150.07 21.92 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.065 -1.054 . . . . 15.0 110.003 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -138.07 126.04 22.67 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.491 -0.559 . . . . 15.0 109.491 171.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -89.63 115.2 26.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.829 -0.623 . . . . 15.0 109.525 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.1 t80 -94.86 121.21 36.22 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.529 -0.76 . . . . 15.0 110.182 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.417 ' OD1' HG22 ' A' ' 452' ' ' THR . 24.3 t-20 -89.92 115.44 27.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.838 0.351 . . . . 15.0 110.331 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -74.67 -3.26 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.488 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -88.32 -22.3 23.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.586 -0.279 . . . . 15.0 111.23 -175.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.0 t -138.86 8.76 2.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.514 0.673 . . . . 15.0 109.386 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.7 mt 64.32 20.11 12.04 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.654 -1.157 . . . . 15.0 110.956 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.549 ' HB2' HG23 ' A' ' 452' ' ' THR . 45.7 mt-10 -110.62 129.31 55.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 15.0 111.842 -174.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 3.0 p -109.52 131.78 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.58 . . . . 15.0 111.729 -177.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.69 142.85 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.66 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.4 m95 -69.92 -27.14 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.742 0.306 . . . . 15.0 111.584 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.39 144.72 27.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.229 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.4 112.64 10.71 Favored Pre-proline 0 C--O 1.234 0.255 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.111 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -71.99 150.65 55.11 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.017 2.478 . . . . 15.0 113.013 -173.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.14 -21.67 65.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.68 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.13 -2.38 37.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.813 -0.631 . . . . 15.0 110.182 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.422 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 29.6 tp -147.89 29.84 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.444 -0.947 . . . . 15.0 108.444 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.914 -1.039 . . . . 15.0 112.117 -174.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 112.06 0.393 . . . . 15.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.476 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 10.8 m95 -113.67 150.11 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.279 0.562 . . . . 15.0 111.824 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.4 m -135.97 121.97 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.739 172.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 3.2 pt-20 -89.81 150.5 22.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.755 0.788 . . . . 15.0 111.076 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -138.34 150.35 46.51 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.317 -2.105 . . . . 15.0 105.317 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.015 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -121.66 140.23 52.55 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.84 -1.544 . . . . 15.0 112.954 -174.035 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.435 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 18.9 p -89.97 150.18 22.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.406 170.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.47 -29.83 37.76 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.944 0.72 . . . . 15.0 112.944 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.427 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.9 p-10 -73.18 -1.0 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 15.0 111.683 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 41.96 5.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.979 -0.629 . . . . 15.0 113.44 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.435 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 5.9 mtmp? -123.5 131.26 53.59 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 111.39 0.144 . . . . 15.0 111.39 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.015 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.06 149.99 20.98 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.869 -1.133 . . . . 15.0 108.825 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.475 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -136.67 127.15 26.77 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 39.3 m-85 -89.78 116.43 27.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.417 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.5 t80 -93.12 118.63 31.44 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.088 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 452' ' ' THR . 22.0 t-20 -91.01 115.78 28.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.154 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -72.76 -5.59 38.95 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.86 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.418 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 43.6 ttp180 -89.0 -27.45 20.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.679 0.276 . . . . 15.0 111.498 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.919 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.4 t -135.63 9.56 3.38 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.063 0.459 . . . . 15.0 110.161 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.9 mt 64.04 20.84 12.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.359 -0.837 . . . . 15.0 111.072 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.919 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -97.37 123.03 41.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.462 -172.017 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 m -109.02 119.47 39.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.428 -0.351 . . . . 15.0 110.379 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -132.31 143.04 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.243 -0.28 . . . . 15.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.8 m95 -73.92 -18.26 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 15.0 110.874 -176.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -105.91 120.33 41.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.147 0.498 . . . . 15.0 111.098 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.909 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 16.6 ptpt -69.09 128.01 92.82 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.241 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.28 -171.52 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.008 2.472 . . . . 15.0 111.295 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.411 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 5.8 tp-100 -65.67 -12.61 55.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.117 0.484 . . . . 15.0 110.864 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.72 -18.77 61.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 15.0 111.897 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 17.7 tp -147.02 15.7 1.19 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 15.0 111.426 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.909 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 15.1 ttpp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.346 -0.835 . . . . 15.0 110.671 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.915 0.388 . . . . 15.0 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -112.07 144.6 41.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.522 0.677 . . . . 15.0 111.595 -171.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 6.3 m -126.49 109.89 12.67 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.6 -1.182 . . . . 15.0 108.018 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.03 150.71 21.98 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.671 0.748 . . . . 15.0 111.32 -176.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -137.23 150.29 47.76 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 103.91 -2.626 . . . . 15.0 103.91 -169.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.994 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.6 OUTLIER -111.89 148.08 34.44 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 116.914 -1.914 . . . . 15.0 111.298 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.42 150.01 22.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.53 -1.214 . . . . 15.0 108.947 169.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.06 -30.06 46.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD1' ' HD3' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -77.05 5.24 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.414 -179.137 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.62 64.13 1.78 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.903 -0.665 . . . . 15.0 112.897 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.55 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 22.8 mtpt -151.93 126.04 9.21 Favored 'General case' 0 CA--C 1.478 -1.818 0 C-N-CA 122.595 0.358 . . . . 15.0 111.022 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.994 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 m -90.03 147.88 23.4 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 108.482 -0.933 . . . . 15.0 108.482 -176.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.494 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.6 OUTLIER -137.24 126.06 24.05 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.267 0.556 . . . . 15.0 109.742 170.498 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.8 121.63 32.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.501 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.0 t80 -105.35 118.53 36.8 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.949 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.694 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 23.0 t-20 -89.92 121.0 31.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 15.0 110.288 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -78.88 -0.26 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.995 0.739 . . . . 15.0 112.995 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.694 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 11.8 ptt180 -102.82 -10.78 18.8 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.999 -0.68 . . . . 15.0 111.358 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.47 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.2 t -140.89 6.16 1.99 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.241 -0.651 . . . . 15.0 109.241 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 40.2 mt 61.02 20.21 10.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.094 -0.957 . . . . 15.0 111.052 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.469 ' CB ' HG23 ' A' ' 452' ' ' THR . 30.9 tt0 -95.74 125.78 40.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 15.0 111.471 -170.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 m -111.26 134.54 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.89 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.08 144.49 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.116 -0.327 . . . . 15.0 110.116 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.3 m95 -78.02 -24.24 47.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.112 0.482 . . . . 15.0 110.891 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.89 139.24 30.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.204 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 459' ' ' LYS . 18.3 ptpt -65.37 123.86 85.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.219 0.533 . . . . 15.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.36 166.27 28.88 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.594 2.196 . . . . 15.0 111.493 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.72 -13.15 29.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.296 0.569 . . . . 15.0 110.648 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.73 -11.58 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.298 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.7 tp -127.16 19.74 6.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.785 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.584 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.876 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 5.6 tp10 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.009 0.433 . . . . 15.0 110.526 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.549 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 4.3 m95 -119.47 150.15 40.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.548 0.69 . . . . 15.0 110.943 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.4 m -136.26 124.72 23.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.961 -1.018 . . . . 15.0 108.667 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.93 150.25 22.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.538 0.685 . . . . 15.0 110.31 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -139.24 150.69 45.79 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.043 -2.206 . . . . 15.0 105.043 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.74 144.14 45.58 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 117.547 -1.661 . . . . 15.0 112.525 -174.552 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 38.7 p -89.83 150.18 22.35 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.629 -1.168 . . . . 15.0 109.138 170.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.86 30.28 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.185 0.809 . . . . 15.0 113.185 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.12 2.01 22.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.84 52.47 2.61 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.938 -0.648 . . . . 15.0 113.344 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.687 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 43.5 mttp -130.76 122.97 28.18 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 119.389 -0.339 . . . . 15.0 111.355 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.1 t -94.21 149.94 20.77 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 117.941 -1.504 . . . . 15.0 108.87 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.01 131.43 28.55 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.806 -0.442 . . . . 15.0 109.806 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -89.8 117.75 28.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.213 -0.662 . . . . 15.0 109.213 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.549 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.6 t80 -96.44 118.89 33.9 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.459 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.404 ' OD1' HG22 ' A' ' 452' ' ' THR . 25.9 t-20 -90.09 116.73 28.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.612 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.49 -11.18 60.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.965 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.876 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 31.6 mtm180 -78.78 -23.02 45.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -175.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 454' ' ' GLU . 8.0 t -141.55 8.09 1.95 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.389 0.614 . . . . 15.0 109.801 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 45.0 mt 63.66 20.64 12.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.505 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' A' ' 452' ' ' THR . 41.0 mt-10 -104.9 130.54 53.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.191 -175.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.0 t -120.23 124.3 45.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.598 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.72 150.32 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.105 0.479 . . . . 15.0 109.755 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.471 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.4 m95 -77.67 -2.7 37.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.216 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -95.56 132.07 41.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.518 -172.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -63.15 116.26 23.63 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.746 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.482 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 42.9 Cg_endo -68.01 166.08 26.01 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.925 2.417 . . . . 15.0 112.004 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.37 0.605 . . . . 15.0 110.621 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.88 -11.28 45.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.482 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -144.97 29.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.504 0.669 . . . . 15.0 109.889 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.081 -178.508 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.812 0.339 . . . . 15.0 111.609 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 8.5 m95 -89.67 148.19 23.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.616 -0.513 . . . . 15.0 109.616 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.0 m -121.21 111.37 17.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.789 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.579 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -89.83 150.58 22.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.66 0.743 . . . . 15.0 110.576 178.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 84.3 m-85 -135.38 150.25 49.87 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.309 -2.108 . . . . 15.0 105.309 -173.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.955 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.16 141.11 51.79 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 117.542 -1.663 . . . . 15.0 112.63 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.1 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.243 -1.344 . . . . 15.0 109.478 173.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.72 -29.85 29.16 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -174.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -82.11 3.33 27.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.913 0.338 . . . . 15.0 111.913 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 55.72 1.93 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.836 -0.697 . . . . 15.0 113.031 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.603 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.8 mtpp -135.22 126.12 27.54 Favored 'General case' 0 CA--C 1.483 -1.608 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.955 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 11.2 t -100.0 150.26 22.61 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.502 -1.279 . . . . 15.0 109.129 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.592 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.7 p90 -140.23 124.41 17.69 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.098 0.475 . . . . 15.0 110.077 172.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 47.2 m-85 -90.21 117.75 29.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.342 -0.845 . . . . 15.0 109.69 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.2 120.03 32.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.995 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' ' 452' ' ' THR . 4.0 t-20 -90.4 124.94 35.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.1 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -83.01 -12.29 57.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.705 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.414 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.1 ttp180 -69.63 -36.04 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.597 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.678 HG23 ' HB2' ' A' ' 454' ' ' GLU . 8.9 t -134.25 10.7 3.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.003 0.43 . . . . 15.0 110.153 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.4 mt 61.57 24.55 14.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.293 -0.867 . . . . 15.0 110.966 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG23 ' A' ' 452' ' ' THR . 23.3 mm-40 -105.53 130.59 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.897 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 p -99.75 127.37 45.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.684 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -137.46 140.24 41.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.773 0.32 . . . . 15.0 110.464 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.592 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.8 m95 -76.07 -16.33 59.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.326 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 458' ' ' GLU . 5.3 mm-40 -105.67 168.4 9.12 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.342 0.591 . . . . 15.0 112.038 -171.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.648 ' N ' ' HD2' ' A' ' 459' ' ' LYS . 6.7 mptt -94.01 120.15 66.03 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 15.0 111.533 -167.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.577 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 91.4 Cg_endo -76.76 -173.3 1.69 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.924 2.416 . . . . 15.0 111.7 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -71.82 -25.07 61.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 15.0 111.404 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.577 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.8 pm0 -77.15 0.76 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 15.0 111.154 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 13.0 tp -137.38 12.24 3.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.978 0.418 . . . . 15.0 110.856 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 26.4 tptp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.414 -0.803 . . . . 15.0 110.028 -179.174 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.703 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 11.1 pt-20 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 15.0 110.473 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.639 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 9.5 m95 -107.86 150.12 27.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.1 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 16.6 m -123.72 119.82 30.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.041 173.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.447 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 3.9 pt-20 -90.1 150.4 22.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.903 0.859 . . . . 15.0 111.182 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -139.19 150.65 45.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 105.108 -2.182 . . . . 15.0 105.108 -170.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.017 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.5 144.8 44.7 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.514 -1.674 . . . . 15.0 112.628 -175.134 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.476 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 28.5 p -89.68 150.17 22.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.491 -1.231 . . . . 15.0 109.176 170.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.65 -30.12 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.14 0.422 . . . . 15.0 112.14 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -0.08 16.9 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 31.93 10.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.681 -0.771 . . . . 15.0 113.483 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.508 ' HE3' ' CE3' ' A' ' 457' ' ' TRP . 29.0 mtpp -117.26 129.43 55.91 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 111.668 0.248 . . . . 15.0 111.668 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.017 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -91.42 149.89 21.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 118.432 -1.307 . . . . 15.0 108.81 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 2.3 p90 -137.16 130.43 31.09 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -89.94 122.11 32.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.832 . . . . 15.0 109.854 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 436' ' ' THR . 11.0 t80 -97.72 119.67 36.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.217 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 17.7 t-20 -92.11 124.0 35.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.056 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -80.92 -5.11 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.767 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.703 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 24.8 ttm180 -78.36 -40.85 35.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.868 0.366 . . . . 15.0 110.829 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.434 HG22 ' OD1' ' A' ' 449' ' ' ASN . 7.0 t -129.34 9.56 5.63 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.35 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 64.1 mt 62.51 27.49 16.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.525 -0.761 . . . . 15.0 110.692 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.28 127.31 46.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.427 -0.351 . . . . 15.0 110.93 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.4 p -104.37 112.26 25.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.585 -0.28 . . . . 15.0 110.933 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -125.5 133.05 52.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.747 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.9 m95 -64.39 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 15.0 111.204 -175.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.43 125.46 35.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.408 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 20.0 ptmt -63.68 140.08 97.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.402 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 86.2 Cg_endo -73.91 168.8 23.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.194 2.596 . . . . 15.0 112.02 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.74 -29.03 70.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.923 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 3.3 mp0 -64.6 -19.25 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 15.0 111.186 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -116.57 -1.33 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.18 0.514 . . . . 15.0 110.529 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.488 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 1.2 ttpm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.794 -0.622 . . . . 15.0 110.814 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.539 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 6.9 pt-20 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.065 0.459 . . . . 15.0 111.194 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.619 ' HB2' HD22 ' A' ' 463' ' ' LEU . 13.8 m95 -100.1 150.16 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.499 . . . . 15.0 110.143 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 10.5 m -128.89 121.33 27.91 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.869 -0.789 . . . . 15.0 108.869 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.79 150.33 22.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.731 0.776 . . . . 15.0 110.44 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.0 150.32 46.87 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.405 -2.072 . . . . 15.0 105.405 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.04 147.42 44.13 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.798 -1.561 . . . . 15.0 112.302 -173.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.3 p -89.69 150.34 22.38 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.566 -1.197 . . . . 15.0 109.099 173.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.12 -30.12 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.82 -0.64 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.762 0.282 . . . . 15.0 111.762 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 61.23 1.34 Allowed Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.811 -0.709 . . . . 15.0 113.239 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.547 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.259 54.3 mttp -136.77 127.89 27.89 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 122.397 0.279 . . . . 15.0 110.818 175.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.995 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -96.06 150.21 20.74 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 117.944 -1.502 . . . . 15.0 109.207 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.49 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 2.3 p90 -144.23 131.72 21.0 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.802 -0.444 . . . . 15.0 109.802 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 455' ' ' SER . 86.8 m-85 -89.91 124.61 34.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.714 . . . . 15.0 110.695 -172.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.0 t80 -104.5 120.01 40.29 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.568 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.6 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 4.2 t-20 -89.82 118.73 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.469 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -75.25 -10.32 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.2 ptt180 -93.25 -16.74 24.44 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 119.927 -0.709 . . . . 15.0 112.085 -174.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 454' ' ' GLU . 15.3 t -143.29 9.7 1.66 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.37 -0.532 . . . . 15.0 110.745 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.0 mt 64.95 23.15 12.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.09 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.616 ' HB2' HG23 ' A' ' 452' ' ' THR . 38.8 tt0 -90.23 116.76 28.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.401 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.5 m -110.83 125.46 53.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.656 0.265 . . . . 15.0 111.15 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.23 146.19 33.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.718 -0.475 . . . . 15.0 109.718 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.2 m95 -73.49 -21.89 60.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.66 141.76 28.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.071 -174.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HB3' ' HE2' ' A' ' 459' ' ' LYS . 44.6 mtpt -65.96 118.21 49.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.958 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.428 ' HG3' ' CH2' ' A' ' 435' ' ' TRP . 96.3 Cg_endo -78.34 168.27 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.586 2.191 . . . . 15.0 110.977 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.646 ' HG3' ' HD3' ' A' ' 464' ' ' LYS . 35.9 tt0 -73.63 -12.22 60.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.47 0.652 . . . . 15.0 109.515 178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.11 -0.26 27.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.148 -0.933 . . . . 15.0 110.962 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.619 HD22 ' HB2' ' A' ' 435' ' ' TRP . 25.4 tp -152.3 21.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.358 . . . . 15.0 110.575 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.646 ' HD3' ' HG3' ' A' ' 461' ' ' GLN . 21.4 pttp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 119.053 -0.499 . . . . 15.0 111.172 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.603 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 42.2 mt-10 . . . . . 0 C--O 1.233 0.214 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 5.0 m95 -109.09 149.67 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.352 0.596 . . . . 15.0 111.219 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 27.5 m -136.97 118.08 14.41 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.438 -0.949 . . . . 15.0 108.438 171.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 1.0 OUTLIER -90.03 150.59 22.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.691 0.758 . . . . 15.0 111.282 -178.022 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -135.23 150.32 50.05 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.466 -2.049 . . . . 15.0 105.466 -167.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.009 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.76 139.01 52.97 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 117.057 -1.857 . . . . 15.0 112.13 -175.203 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.586 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.0 p -89.75 150.07 22.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.066 -0.97 . . . . 15.0 110.098 173.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.55 -29.95 28.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.174 0.805 . . . . 15.0 113.174 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.25 -1.58 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.824 0.305 . . . . 15.0 111.824 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 60.91 1.36 Allowed Glycine 0 C--N 1.329 0.15 0 C-N-CA 120.937 -0.649 . . . . 15.0 112.372 177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.586 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.2 mmmm -146.81 126.92 13.74 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 111.949 0.351 . . . . 15.0 111.949 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.009 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.3 t -96.23 150.15 20.86 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.7 -1.2 . . . . 15.0 109.51 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -138.58 128.91 25.86 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 171.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -89.79 119.55 30.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.448 -0.575 . . . . 15.0 109.448 -173.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.566 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 4.5 t80 -97.63 116.27 29.52 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.553 -0.749 . . . . 15.0 110.126 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.87 117.47 28.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.255 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.65 -1.28 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.596 0.236 . . . . 15.0 111.3 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.603 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 38.9 ttp180 -89.48 -16.87 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 15.0 111.178 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.43 HG23 ' CB ' ' A' ' 454' ' ' GLU . 9.8 t -145.39 10.07 1.25 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.191 0.519 . . . . 15.0 109.823 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 53.4 mt 59.01 24.38 12.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.123 -0.944 . . . . 15.0 110.988 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.43 ' CB ' HG23 ' A' ' 452' ' ' THR . 8.6 tp10 -99.4 138.21 36.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.191 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -113.06 119.62 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.47 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -129.82 144.49 51.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.251 -0.278 . . . . 15.0 110.251 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -85.98 -13.56 47.23 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.098 0.475 . . . . 15.0 110.77 -175.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.7 mt-10 -100.26 158.36 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.903 -173.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.06 108.79 28.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.219 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 69.7 Cg_endo -84.63 -179.74 3.94 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.171 2.58 . . . . 15.0 112.023 -177.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.9 -9.49 15.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.105 0.478 . . . . 15.0 111.27 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -93.88 -9.05 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.253 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 28.4 tp -157.72 29.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 15.0 110.645 -172.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.617 -0.706 . . . . 15.0 110.958 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.692 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 4.5 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.337 0.589 . . . . 15.0 110.535 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 11.5 m95 -96.57 150.39 20.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.69 -0.686 . . . . 15.0 110.615 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.7 m -120.44 101.45 7.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.91 150.5 22.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.887 0.851 . . . . 15.0 111.214 -176.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 77.8 m-85 -136.53 150.73 48.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 105.067 -2.198 . . . . 15.0 105.067 -169.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.001 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -119.06 139.7 51.3 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.341 -1.744 . . . . 15.0 112.477 -175.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.3 p -89.96 150.3 22.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.963 -1.017 . . . . 15.0 109.91 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.15 40.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.816 0.673 . . . . 15.0 112.816 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.412 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.3 p-10 -73.22 -2.26 21.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.661 0.267 . . . . 15.0 111.655 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 55.9 1.92 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.987 -0.625 . . . . 15.0 112.625 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.529 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.263 31.4 mtmm -138.81 134.47 33.44 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 178.336 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.001 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 8.8 t -96.6 149.97 21.18 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 119.19 -1.004 . . . . 15.0 109.265 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.612 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -135.87 123.99 23.0 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.726 -0.842 . . . . 15.0 108.726 170.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.497 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 91.2 m-85 -89.68 119.43 30.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.186 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 4.6 t80 -92.79 119.43 32.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.886 -0.597 . . . . 15.0 109.432 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.465 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.6 t-20 -89.64 113.06 24.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.207 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -71.88 -6.72 43.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.733 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.692 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 40.2 ttp180 -79.28 -26.53 42.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.392 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -136.33 5.76 3.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.447 0.642 . . . . 15.0 109.766 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.1 mt 64.31 17.94 11.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.912 -1.04 . . . . 15.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 452' ' ' THR . 50.0 mt-10 -110.7 130.97 55.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.663 -174.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 23.3 t -104.76 135.76 45.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.433 . . . . 15.0 110.483 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -137.36 146.04 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.811 -0.441 . . . . 15.0 109.811 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.612 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.6 m95 -79.01 -24.42 43.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.183 0.516 . . . . 15.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -87.44 123.39 32.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.836 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.23 116.83 46.25 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.582 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.475 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 96.8 Cg_endo -81.67 -175.67 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.799 2.333 . . . . 15.0 111.898 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -61.82 -14.51 33.82 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.69 -29.19 69.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 15.0 111.097 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.7 tp -128.72 5.33 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.566 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 27.0 mtpp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 15.0 110.805 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.665 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.625 0.726 . . . . 15.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 14.4 m95 -128.27 150.09 50.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.12 0.486 . . . . 15.0 111.0 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 28.3 m -132.12 114.26 14.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.82 -0.807 . . . . 15.0 108.82 171.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -90.15 150.76 21.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.97 0.891 . . . . 15.0 111.524 -177.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -137.46 150.49 47.63 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 105.717 -1.956 . . . . 15.0 105.717 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.996 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -120.15 139.07 53.16 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 117.54 -1.664 . . . . 15.0 112.421 -174.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.8 p -89.94 150.29 22.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.507 -1.224 . . . . 15.0 110.298 175.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.57 -29.91 18.94 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -78.04 -1.66 33.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 59.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.679 -0.772 . . . . 15.0 112.641 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.495 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 49.6 mtmt -144.84 132.76 21.31 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 122.432 0.293 . . . . 15.0 111.338 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.996 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 7.5 t -95.2 150.04 20.65 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 118.781 -1.168 . . . . 15.0 109.174 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.597 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -135.83 127.49 28.99 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 455' ' ' SER . 66.9 m-85 -89.65 116.8 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.527 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.544 ' HE1' ' OD1' ' A' ' 450' ' ' ASN . 4.8 t80 -92.98 120.14 32.97 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.258 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.665 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 3.8 t-20 -98.15 116.4 30.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.376 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.544 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 3.7 m-80 -69.1 -17.85 63.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.337 0.589 . . . . 15.0 110.46 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.466 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 38.2 ttp180 -69.6 -26.64 64.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.38 -0.827 . . . . 15.0 112.0 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 454' ' ' GLU . 5.6 t -140.8 6.77 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 15.0 110.15 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.7 mt 63.34 20.51 12.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 452' ' ' THR . 40.0 tt0 -100.24 124.86 46.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.2 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 6.5 m -106.24 117.88 35.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.491 177.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -128.65 145.52 51.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.314 . . . . 15.0 110.402 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.597 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.6 m95 -81.57 -14.72 56.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.275 -0.421 . . . . 15.0 111.937 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -106.82 135.45 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.832 0.348 . . . . 15.0 111.055 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -57.79 127.03 78.12 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.681 -0.69 . . . . 15.0 112.468 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 60.4 Cg_endo -72.05 167.44 26.75 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.803 2.335 . . . . 15.0 111.391 172.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.94 -15.97 64.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.214 0.531 . . . . 15.0 110.554 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.61 -20.77 56.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.125 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -113.49 -9.02 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.915 -169.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.527 -0.749 . . . . 15.0 109.957 178.732 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 111.857 0.318 . . . . 15.0 111.857 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.484 ' HZ2' ' HG3' ' A' ' 462' ' ' GLU . 11.6 m95 -122.44 150.16 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.184 0.516 . . . . 15.0 111.442 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.8 m -128.9 112.8 14.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.168 -0.924 . . . . 15.0 108.916 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.7 pt-20 -90.01 150.18 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.4 0.619 . . . . 15.0 110.362 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 59.0 m-85 -135.85 150.4 49.37 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 105.356 -2.09 . . . . 15.0 105.356 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.979 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.8 OUTLIER -120.92 140.41 51.87 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 117.616 -1.633 . . . . 15.0 112.594 -176.292 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.726 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 40.5 p -90.1 150.27 22.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.206 168.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.05 21.03 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.319 0.859 . . . . 15.0 113.319 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.04 1.53 17.69 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.872 0.323 . . . . 15.0 111.872 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.54 4.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.671 -0.776 . . . . 15.0 112.644 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.726 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.8 mmtm -122.24 120.65 34.78 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 119.261 -0.399 . . . . 15.0 111.794 177.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.979 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.3 t -96.88 150.07 21.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 117.519 -1.672 . . . . 15.0 108.46 174.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 1.1 p90 -136.06 125.18 24.46 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.161 0.505 . . . . 15.0 109.875 172.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.65 115.42 27.02 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.432 -174.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.9 t80 -93.34 120.26 33.41 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.991 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.444 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.8 t-20 -89.94 113.85 25.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.088 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.17 -8.66 47.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 15.0 111.041 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.444 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 59.2 ttp180 -83.11 -21.91 33.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.695 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.621 HG23 ' HB3' ' A' ' 454' ' ' GLU . 5.2 t -136.25 4.27 2.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.995 0.426 . . . . 15.0 110.069 -178.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.6 mt 61.7 19.32 10.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.234 -0.893 . . . . 15.0 110.383 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.621 ' HB3' HG23 ' A' ' 452' ' ' THR . 43.2 tt0 -112.01 129.56 56.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.998 -0.547 . . . . 15.0 111.324 -172.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 26.3 t -110.16 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.961 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.72 137.74 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 4.3 m95 -78.66 -21.74 47.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.536 0.684 . . . . 15.0 109.893 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.42 137.04 36.08 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 46.7 mtpt -54.9 116.55 11.51 Favored Pre-proline 0 C--O 1.233 0.229 0 O-C-N 123.66 0.6 . . . . 15.0 111.799 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.19 161.18 29.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.831 2.354 . . . . 15.0 111.409 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.81 -17.21 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.407 0.622 . . . . 15.0 110.4 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG3' ' HZ2' ' A' ' 435' ' ' TRP . 10.2 mm-40 -71.16 -14.94 62.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.314 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.4 tp -137.65 16.62 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 15.0 110.355 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.2 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.511 -0.757 . . . . 15.0 110.645 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 CA--C 1.527 0.091 0 N-CA-C 108.18 -1.045 . . . . 15.0 108.18 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 16.0 m95 -121.59 150.04 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.604 -1.18 . . . . 15.0 110.367 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 31.2 m -126.72 113.83 17.18 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 173.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 4.8 pt-20 -89.74 150.17 22.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.616 0.722 . . . . 15.0 110.285 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 94.2 m-85 -134.73 150.35 50.57 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 105.329 -2.1 . . . . 15.0 105.329 -172.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.96 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.48 145.28 46.44 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 117.658 -1.617 . . . . 15.0 112.26 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -90.06 150.17 22.2 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.1 171.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.95 60.84 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.193 0.442 . . . . 15.0 112.193 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -77.84 1.77 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.367 -0.378 . . . . 15.0 111.931 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 61.59 1.34 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.728 -0.748 . . . . 15.0 113.093 173.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.575 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.1 mmmm -144.32 125.37 14.47 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 119.461 -0.304 . . . . 15.0 111.501 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.96 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 4.8 t -96.93 150.2 21.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.186 -1.406 . . . . 15.0 108.74 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.32 128.02 23.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.022 0.439 . . . . 15.0 110.066 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -89.84 116.41 27.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.048 -172.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -91.14 122.27 33.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.193 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 4.6 t-20 -96.49 124.88 40.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.261 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.54 -26.14 57.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.335 0.588 . . . . 15.0 110.341 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -66.71 -22.5 66.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.102 -0.954 . . . . 15.0 112.817 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 454' ' ' GLU . 9.8 t -136.06 4.98 3.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.99 21.55 9.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.632 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.531 ' HB3' HG23 ' A' ' 452' ' ' THR . 8.9 tp10 -113.42 141.06 47.53 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.261 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 20.7 t -111.36 125.29 53.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.069 0.461 . . . . 15.0 110.629 -176.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.69 133.98 54.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.5 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.1 m95 -70.48 -21.62 62.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.678 . . . . 15.0 110.094 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 458' ' ' GLU . 5.9 pt-20 -93.25 136.43 33.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.67 -175.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 40.9 ttmt -75.04 125.33 89.38 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 15.0 111.702 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 84.7 Cg_endo -75.07 161.54 38.39 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.372 2.715 . . . . 15.0 112.227 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 464' ' ' LYS . 26.0 tp60 -66.19 -21.99 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.296 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.42 -16.22 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.358 . . . . 15.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.5 tp -127.16 4.5 6.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.258 0.552 . . . . 15.0 110.31 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 461' ' ' GLN . 10.9 tptp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.467 -0.777 . . . . 15.0 110.96 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.629 -0.589 . . . . 15.0 111.629 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.78 -23.33 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.897 0.38 . . . . 15.0 111.185 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 59.5 m -147.65 -49.27 0.17 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.995 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -96.47 128.92 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.118 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.5 p -168.2 133.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.46 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.2 p -103.75 -109.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.879 -0.146 . . . . 15.0 111.297 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.467 ' HG3' ' HG3' ' A' ' 451' ' ' ARG . 1.0 OUTLIER -101.9 11.77 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.07 0.462 . . . . 15.0 110.69 -178.505 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.435 ' CH2' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 -99.07 150.08 22.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.158 0.504 . . . . 15.0 110.754 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 5.2 m -124.22 110.8 15.1 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.57 -0.9 . . . . 15.0 108.57 173.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 2.9 pt-20 -89.98 150.38 22.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.762 0.791 . . . . 15.0 110.616 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -134.99 150.35 50.33 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 105.435 -2.061 . . . . 15.0 105.435 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -122.55 140.14 53.12 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 117.568 -1.653 . . . . 15.0 112.325 -175.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 56.3 p -89.73 150.33 22.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.878 -1.056 . . . . 15.0 109.298 171.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.74 -29.97 55.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -172.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -78.16 3.41 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 58.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.672 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.62 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 64.3 mttm -141.51 124.06 15.89 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-O 119.577 -0.249 . . . . 15.0 111.372 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.995 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.59 150.05 21.09 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.567 -1.253 . . . . 15.0 109.397 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.2 p90 -137.53 125.09 22.15 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 171.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 84.8 m-85 -89.85 122.47 32.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.173 -173.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -101.85 119.79 39.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.428 -0.805 . . . . 15.0 109.86 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.435 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 26.8 t-20 -89.9 118.81 29.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.752 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -74.76 -5.04 41.13 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.611 0.597 . . . . 15.0 112.611 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HG3' ' HG3' ' A' ' 434' ' ' GLU . 14.5 mtm180 -80.41 -44.75 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.768 -0.373 . . . . 15.0 110.433 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.2 t -122.15 7.61 9.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.56 0.695 . . . . 15.0 109.937 -175.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 39.8 mt 64.21 20.32 12.13 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.054 -0.976 . . . . 15.0 110.882 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' A' ' 452' ' ' THR . 33.0 mt-10 -93.2 123.57 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 15.0 112.002 -171.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 11.4 p -102.78 122.63 44.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.047 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -137.6 142.13 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 15.0 110.111 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.7 m95 -74.61 -25.42 59.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.196 0.522 . . . . 15.0 110.677 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -84.91 131.13 34.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.078 -172.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -60.96 117.34 24.69 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.033 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.91 159.07 39.77 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.559 2.839 . . . . 15.0 112.542 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.46 -29.15 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 15.0 111.184 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.8 -12.37 60.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 15.0 111.196 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.9 tp -129.31 17.96 5.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.474 0.654 . . . . 15.0 110.208 -175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.452 -0.785 . . . . 15.0 109.764 -179.055 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.712 -0.555 . . . . 15.0 111.712 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.06 132.19 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.5 t 47.16 28.13 0.92 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.092 0.957 . . . . 15.0 111.993 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . -158.99 142.01 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.848 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.67 ' HA ' ' HB3' ' A' ' 462' ' ' GLU . 87.1 t 75.58 120.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.969 0.793 . . . . 15.0 110.251 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.1 m 63.37 21.69 12.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.696 0.76 . . . . 15.0 109.972 -174.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -90.98 2.11 56.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.2 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.1 m95 -110.84 150.18 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.394 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.3 m -126.51 123.85 38.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.257 173.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -98.8 150.78 21.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.994 0.902 . . . . 15.0 112.385 -176.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -137.5 150.62 47.69 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.883 -1.895 . . . . 15.0 105.883 -167.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.0 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -118.12 141.68 48.23 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 117.71 -1.596 . . . . 15.0 112.857 -175.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.599 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 37.8 p -90.31 150.3 21.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.968 -1.014 . . . . 15.0 109.962 170.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.66 -29.88 53.8 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.34 3.2 18.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 64.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.425 -0.893 . . . . 15.0 112.714 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.599 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 48.6 mttp -149.3 123.62 9.6 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 119.531 -0.271 . . . . 15.0 111.619 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.0 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.9 t -92.8 140.52 29.43 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.032 -1.467 . . . . 15.0 108.753 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.559 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.1 p90 -126.81 127.61 45.28 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 57.4 m-85 -89.67 125.33 35.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.375 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 436' ' ' THR . 4.0 t80 -106.35 121.96 45.28 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.991 -176.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.45 ' OD1' HG22 ' A' ' 452' ' ' THR . 27.0 t-20 -91.35 131.41 36.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.217 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.406 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 44.5 m-80 -84.53 -23.78 29.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 15.0 111.508 -174.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 451' ' ' ARG . 10.1 ttp180 -75.74 -36.47 59.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.722 -0.672 . . . . 15.0 112.389 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.45 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.3 t -126.79 10.8 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.768 0.318 . . . . 15.0 110.547 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.9 mt 59.32 30.49 20.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.719 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.416 ' HB2' HG23 ' A' ' 452' ' ' THR . 40.9 tt0 -95.96 111.73 23.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.57 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 7.9 p -102.55 120.79 41.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.779 0.324 . . . . 15.0 110.541 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.94 150.03 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.379 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.2 m95 -84.57 -11.81 55.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.383 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -97.89 155.12 17.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.954 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 65.3 mttt -76.05 124.88 88.52 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.084 0.469 . . . . 15.0 111.875 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -85.42 -174.15 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.21 2.607 . . . . 15.0 111.793 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -75.15 -17.89 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.292 0.568 . . . . 15.0 110.564 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.67 ' HB3' ' HA ' ' A' ' 432' ' ' VAL . 1.9 mp0 -90.54 0.8 57.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 15.0 112.079 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 19.3 tp -154.41 23.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.014 0.435 . . . . 15.0 110.903 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.3 ttpm? . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.807 -0.633 . . . . 15.0 111.124 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.811 0 N-CA-C 111.997 -0.441 . . . . 15.0 111.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -167.22 -56.04 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.393 0.616 . . . . 15.0 112.135 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.7 t -119.28 -0.3 11.02 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.903 -171.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.627 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . . . -83.02 112.73 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 110.314 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.94 -18.12 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.203 0.525 . . . . 15.0 110.622 -177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.9 p -89.24 10.37 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.697 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.627 ' HG3' ' HB3' ' A' ' 431' ' ' ALA . 56.9 mt-10 -67.54 -5.31 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 15.0 110.955 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.513 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 3.6 m95 -118.64 150.11 40.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.274 0.559 . . . . 15.0 110.518 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.5 m -132.1 119.16 20.58 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.369 -0.832 . . . . 15.0 109.052 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.62 150.3 22.44 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.444 0.64 . . . . 15.0 110.01 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -137.99 150.26 46.83 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 105.484 -2.043 . . . . 15.0 105.484 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.947 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -116.67 142.43 46.91 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 117.626 -1.629 . . . . 15.0 112.679 -176.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.0 p -89.87 150.28 22.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.532 -1.213 . . . . 15.0 109.623 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.84 60.25 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.656 0.382 . . . . 15.0 111.684 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -74.58 -1.5 21.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.452 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 53.57 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.829 -0.701 . . . . 15.0 113.359 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.556 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 59.2 mttp -136.24 129.85 32.19 Favored 'General case' 0 CA--C 1.479 -1.781 0 N-CA-C 111.64 0.237 . . . . 15.0 111.64 177.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.947 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.2 t -95.86 150.04 20.86 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 118.15 -1.42 . . . . 15.0 108.682 174.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 3.6 p90 -142.63 128.41 19.33 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.265 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.419 -174.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 10.9 t80 -96.85 118.78 34.03 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.018 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 4.7 t-20 -91.36 118.98 30.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.653 -0.249 . . . . 15.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -75.22 -7.0 52.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.102 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 44.6 ttp180 -83.05 -26.0 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.338 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.493 HG23 ' CB ' ' A' ' 454' ' ' GLU . 8.9 t -142.2 11.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.557 . . . . 15.0 110.02 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 52.0 mt 57.87 26.44 13.28 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.3 -0.864 . . . . 15.0 110.803 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.493 ' CB ' HG23 ' A' ' 452' ' ' THR . 31.4 tt0 -107.62 135.66 48.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.657 -172.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -115.03 124.37 51.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.239 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -128.73 138.19 51.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.9 0.381 . . . . 15.0 110.004 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.438 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.6 m95 -77.22 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 15.0 109.972 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.89 149.19 22.15 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.993 -1.003 . . . . 15.0 110.427 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.2 120.21 79.08 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.118 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.72 161.43 28.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.441 2.761 . . . . 15.0 112.846 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.37 -17.11 62.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.275 0.559 . . . . 15.0 110.761 -177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.87 -5.25 53.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.194 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 30.0 tp -131.48 4.98 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.843 -175.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.401 -0.809 . . . . 15.0 110.462 -177.227 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.738 -0.545 . . . . 15.0 111.738 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -147.4 -178.73 6.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 15.0 111.204 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 50.4 m -146.81 121.69 9.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.486 -0.779 . . . . 15.0 108.953 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.72 174.8 7.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.137 0.494 . . . . 15.0 110.916 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.12 144.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.539 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.7 m 59.56 41.47 18.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.593 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.548 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 66.4 mt-10 -71.45 4.52 2.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.183 0.516 . . . . 15.0 111.111 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.556 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 11.0 m95 -111.54 148.49 33.11 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.202 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 19.2 m -129.76 112.28 13.46 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.624 -0.88 . . . . 15.0 108.624 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -90.08 150.53 22.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.849 0.833 . . . . 15.0 111.204 -175.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -137.58 150.73 47.68 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 105.452 -2.055 . . . . 15.0 105.452 -167.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.987 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.01 143.64 47.95 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 117.723 -1.591 . . . . 15.0 112.387 -171.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 41.7 p -89.67 150.27 22.42 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.945 -1.025 . . . . 15.0 109.448 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.24 -30.06 48.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.686 0.625 . . . . 15.0 112.686 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -80.71 2.66 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.676 -0.238 . . . . 15.0 111.562 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 62.18 1.29 Allowed Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.989 -0.624 . . . . 15.0 113.384 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.631 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.9 mttt -146.18 128.38 15.72 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 111.69 0.256 . . . . 15.0 111.69 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.987 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.2 t -96.22 150.01 21.01 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 118.643 -1.223 . . . . 15.0 109.216 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -138.17 126.9 23.68 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 109.236 -0.654 . . . . 15.0 109.236 172.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.71 118.05 29.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.733 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.487 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.4 t80 -96.51 120.57 37.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.383 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 21.8 t-20 -97.8 128.22 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 15.0 111.272 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -80.01 -2.13 42.76 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.838 0.681 . . . . 15.0 112.838 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.548 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 31.3 mtm-85 -86.91 -27.32 23.44 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.593 -0.443 . . . . 15.0 111.194 -178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 454' ' ' GLU . 3.3 t -132.02 5.05 4.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.728 -0.471 . . . . 15.0 109.728 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 66.7 mt 59.69 24.57 13.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.228 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -108.27 137.5 46.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.795 -172.012 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 t -110.65 128.56 55.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.593 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -126.6 138.2 53.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -75.75 -17.89 59.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 15.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -84.85 134.59 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.135 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 70.3 tttt -67.1 121.79 79.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.28 -173.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.713 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 53.0 Cg_endo -69.07 157.11 63.02 Favored 'Trans proline' 0 CA--C 1.521 -0.154 0 C-N-CA 123.108 2.539 . . . . 15.0 111.961 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.637 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 21.3 tt0 -84.0 -11.68 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.036 0.446 . . . . 15.0 110.688 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.02 -2.01 57.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 15.0 109.77 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.713 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -139.81 14.89 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.553 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.4 ttpt . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.426 -0.797 . . . . 15.0 110.452 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.327 -0.709 . . . . 15.0 111.327 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -76.2 121.1 22.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.959 -0.385 . . . . 15.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.9 p -76.1 -25.8 55.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 15.0 110.946 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -150.2 108.8 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 15.0 109.706 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 462' ' ' GLU . 37.1 t -85.2 87.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.743 0.782 . . . . 15.0 109.913 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.2 p -82.59 15.23 2.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.7 10.29 26.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.804 -0.635 . . . . 15.0 111.177 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -100.74 147.82 25.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.237 0.541 . . . . 15.0 110.739 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 m -125.34 116.87 22.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.817 -0.809 . . . . 15.0 108.817 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -89.79 150.27 22.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.889 0.852 . . . . 15.0 110.911 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.15 150.58 49.13 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 105.423 -2.065 . . . . 15.0 105.423 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.001 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -121.42 142.17 50.28 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.648 -1.621 . . . . 15.0 112.46 -175.278 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.61 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 47.7 p -89.73 150.37 22.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.88 -1.054 . . . . 15.0 109.656 172.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.56 -29.89 27.88 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.663 0.616 . . . . 15.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.82 0.46 26.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.708 0.289 . . . . 15.0 111.477 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 53.44 2.35 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.911 -0.661 . . . . 15.0 113.097 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.61 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.27 23.9 mttm -132.29 129.76 39.97 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 119.435 -0.317 . . . . 15.0 111.715 177.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.001 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.6 t -96.62 150.23 20.9 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 118.031 -1.467 . . . . 15.0 108.92 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 1.5 p90 -142.02 128.8 20.5 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.027 0.441 . . . . 15.0 109.93 173.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -89.86 121.71 32.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.378 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 0.2 OUTLIER -102.71 123.39 46.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 15.0 110.078 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.576 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 20.7 t-20 -89.95 118.56 29.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.782 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -72.5 -6.78 46.17 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.063 0.394 . . . . 15.0 112.063 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.576 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.2 ttp180 -82.84 -23.72 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 15.0 111.049 -175.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -147.69 9.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 15.0 111.104 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.9 mt 62.06 28.44 17.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.678 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.484 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.1 tp10 -95.2 118.23 31.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.513 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 39.2 t -107.54 126.66 52.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.635 0.255 . . . . 15.0 110.602 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -146.36 142.33 28.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 15.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 2.2 m95 -72.19 -30.87 65.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.427 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -76.31 126.52 31.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.406 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -51.24 118.33 10.52 Favored Pre-proline 0 C--O 1.234 0.241 0 O-C-N 123.841 0.713 . . . . 15.0 111.06 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.485 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 27.4 Cg_endo -62.6 144.37 94.21 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.1 2.533 . . . . 15.0 113.067 -175.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.58 -15.08 62.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.934 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.512 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 52.5 mt-10 -81.07 -8.96 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.197 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.485 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -144.06 23.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.404 -174.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.129 -0.938 . . . . 15.0 111.196 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.965 -0.454 . . . . 15.0 111.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -113.97 -48.63 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.736 0.779 . . . . 15.0 110.996 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.5 m -110.67 7.45 22.28 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.772 -1.104 . . . . 15.0 110.122 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -154.17 151.96 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.583 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.12 6.48 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.418 0.627 . . . . 15.0 110.139 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 p -75.92 37.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.161 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 6.1 tp10 -74.9 -5.39 43.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 15.0 110.463 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 23.5 m95 -113.67 149.73 34.24 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.276 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 24.0 m -132.74 121.24 22.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.223 -0.899 . . . . 15.0 108.833 171.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -89.76 150.52 22.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 15.0 111.633 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -136.32 150.51 48.91 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 105.78 -1.933 . . . . 15.0 105.78 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.981 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.6 141.86 49.92 Favored 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 117.631 -1.628 . . . . 15.0 112.62 -174.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.715 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 43.2 p -90.15 150.14 22.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.979 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.45 -30.26 39.7 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.036 0.754 . . . . 15.0 113.036 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.5 -1.57 31.12 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.93 0.344 . . . . 15.0 111.93 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 65.13 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.556 -0.83 . . . . 15.0 112.416 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.715 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 95.7 mttt -145.03 125.43 13.92 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 122.703 0.401 . . . . 15.0 111.209 177.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.981 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 5.8 t -94.57 150.06 20.62 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.005 -1.478 . . . . 15.0 108.812 174.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.511 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 3.1 p90 -142.54 132.03 23.73 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.723 -0.473 . . . . 15.0 109.723 173.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -89.79 122.19 32.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.173 -170.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 2.6 t80 -95.45 121.15 36.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.137 -0.938 . . . . 15.0 110.399 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.525 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 19.4 t-20 -98.39 121.42 40.31 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.401 -177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.92 -12.25 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.613 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.525 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.4 ttp180 -71.52 -26.85 62.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.266 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.486 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -146.4 11.69 1.16 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.967 0.413 . . . . 15.0 110.332 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 62.17 24.23 14.4 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.351 -0.841 . . . . 15.0 111.605 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB2' HG23 ' A' ' 452' ' ' THR . 58.9 mm-40 -101.42 131.16 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.225 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -117.29 124.56 49.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.524 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -142.34 150.34 40.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.472 . . . . 15.0 110.367 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.1 m95 -71.29 -7.5 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.967 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.9 136.08 33.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.609 0.242 . . . . 15.0 110.985 -172.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -61.85 117.4 28.39 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.246 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 143.97 28.3 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.472 2.781 . . . . 15.0 112.852 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -63.57 -29.01 70.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 15.0 109.955 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.64 -9.85 59.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.916 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.78 16.32 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 15.0 110.621 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.751 -0.642 . . . . 15.0 111.097 -175.493 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 112.66 -0.176 . . . . 15.0 112.66 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -114.23 -32.36 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.404 0.621 . . . . 15.0 109.868 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 434' ' ' GLU . 4.3 m -117.56 -7.5 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.234 -0.894 . . . . 15.0 110.757 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 434' ' ' GLU . . . 60.5 -148.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.118 -0.492 . . . . 15.0 109.969 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 433' ' ' SER . 85.9 t -56.31 135.94 19.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 173.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 26.1 t 80.21 24.42 0.38 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.228 0.955 . . . . 15.0 110.143 -173.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.663 ' HB2' ' O ' ' A' ' 431' ' ' ALA . 23.4 tt0 -73.24 1.66 8.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.62 0.724 . . . . 15.0 109.999 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -107.72 149.95 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.696 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.2 m -126.41 114.85 18.74 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.974 -0.75 . . . . 15.0 108.974 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -90.03 150.72 21.99 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.803 0.811 . . . . 15.0 110.873 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 74.5 m-85 -136.94 150.46 48.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 105.396 -2.075 . . . . 15.0 105.396 -171.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.976 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -120.22 138.18 53.78 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 117.644 -1.622 . . . . 15.0 112.245 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 69.1 p -89.76 150.05 22.45 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.917 -1.038 . . . . 15.0 109.785 174.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.16 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.67 0.619 . . . . 15.0 112.67 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.45 1.18 17.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.845 0.313 . . . . 15.0 111.845 -177.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 15.0 112.808 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.605 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.271 30.1 mmmt -139.61 129.98 25.46 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 119.166 -0.445 . . . . 15.0 111.537 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.976 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 12.0 t -96.9 150.09 21.14 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.282 -1.367 . . . . 15.0 108.365 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.475 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -137.47 124.97 22.07 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 67.1 m-85 -89.89 116.17 27.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.296 -0.866 . . . . 15.0 109.463 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.7 t80 -97.96 117.65 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.757 -175.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 23.3 t-20 -90.05 115.65 27.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.268 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -75.33 -0.55 20.12 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.977 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 41.6 ttp-105 -90.04 -26.63 20.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.626 -0.261 . . . . 15.0 111.375 -175.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.678 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.7 t -137.24 11.19 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.11 0.481 . . . . 15.0 110.313 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 56.7 mt 63.46 20.12 12.07 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.032 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG23 ' A' ' 452' ' ' THR . 34.6 mm-40 -98.79 128.43 45.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.01 0.374 . . . . 15.0 112.01 -172.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.2 t -101.14 125.57 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 15.0 109.819 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -131.63 140.41 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.0 m95 -90.16 -8.99 49.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 15.0 110.673 -173.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.4 142.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.687 -173.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -64.03 115.31 18.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 15.0 112.296 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 92.1 Cg_endo -79.86 172.96 13.4 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.927 2.418 . . . . 15.0 111.139 174.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.62 -15.32 63.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.004 0.43 . . . . 15.0 111.532 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG2' ' H ' ' A' ' 462' ' ' GLU . 3.6 pt-20 -96.2 8.3 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.379 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.517 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 20.3 tp -157.46 24.87 0.29 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.727 -0.389 . . . . 15.0 111.53 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.993 -1.003 . . . . 15.0 110.831 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.857 -0.497 . . . . 15.0 111.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 67.9 165.48 0.23 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.235 0.614 . . . . 15.0 112.094 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 462' ' ' GLU . 8.8 t -140.02 134.14 31.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.994 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 462' ' ' GLU . . . -165.07 134.6 3.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 15.0 109.564 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.5 p -170.09 147.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.892 0.377 . . . . 15.0 110.751 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.7 p -84.64 33.76 0.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.148 0.499 . . . . 15.0 110.548 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -10.19 59.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.136 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -89.73 146.44 24.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.522 0.677 . . . . 15.0 110.242 -175.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 4.1 m -119.14 105.57 11.52 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.129 -0.941 . . . . 15.0 109.161 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.83 150.51 22.21 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.622 0.725 . . . . 15.0 110.377 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -134.9 150.36 50.42 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.064 -2.199 . . . . 15.0 105.064 -170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.967 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.07 137.37 54.84 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 117.364 -1.735 . . . . 15.0 111.892 -177.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.789 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 74.7 p -89.78 150.23 22.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.756 -1.111 . . . . 15.0 110.146 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.93 -29.55 29.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.812 1.041 . . . . 15.0 113.812 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.92 5.37 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 15.0 111.497 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 53.95 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.923 -0.656 . . . . 15.0 112.13 176.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.789 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.269 23.5 mmtp -134.84 129.15 34.02 Favored 'General case' 0 CA--C 1.478 -1.816 0 N-CA-C 112.933 0.716 . . . . 15.0 112.933 -176.323 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.967 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 m -99.73 150.1 22.66 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.526 -0.869 . . . . 15.0 109.139 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.4 OUTLIER -143.53 123.99 13.95 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.471 -0.566 . . . . 15.0 109.471 167.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 71.4 m-85 -89.76 124.08 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.351 -0.841 . . . . 15.0 109.545 -173.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.525 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.3 t80 -104.24 124.28 48.85 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.607 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.77 118.75 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.951 -0.568 . . . . 15.0 109.835 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.0 -11.18 60.65 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -78.28 -26.03 46.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 15.0 111.652 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 454' ' ' GLU . 7.3 t -140.73 6.62 2.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.446 0.641 . . . . 15.0 109.605 -176.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 63.6 mt 63.35 21.02 12.59 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.165 -0.925 . . . . 15.0 110.898 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.525 ' HB2' HG23 ' A' ' 452' ' ' THR . 79.9 mm-40 -107.18 134.41 50.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.403 -173.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.425 ' HB3' ' HB2' ' A' ' 448' ' ' TYR . 18.0 p -125.4 133.18 52.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.738 0.304 . . . . 15.0 111.621 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -135.41 149.97 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.627 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.5 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 1.7 m95 -81.86 -7.7 59.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.244 -0.434 . . . . 15.0 111.385 -174.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.04 111.89 24.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.031 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.701 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 14.6 ttmm -35.43 110.51 0.42 Allowed Pre-proline 0 N--CA 1.469 0.497 0 O-C-N 124.419 1.074 . . . . 15.0 112.822 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 35.1 Cg_endo -65.08 153.16 79.64 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.486 2.791 . . . . 15.0 112.644 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.44 -29.3 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.559 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.493 ' HG2' HG23 ' A' ' 430' ' ' THR . 72.1 mt-10 -75.64 -7.88 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 15.0 111.278 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.7 tp -143.92 22.79 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 15.0 109.725 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.701 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 25.1 ttmm . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.206 -0.902 . . . . 15.0 110.373 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.84 -0.504 . . . . 15.0 111.84 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -129.45 -26.49 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.827 0.346 . . . . 15.0 110.885 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.8 m -107.19 110.58 22.67 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.612 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 69.78 101.26 0.06 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.989 0.806 . . . . 15.0 111.456 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.9 p -161.97 138.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.342 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.479 ' HA ' HD13 ' A' ' 463' ' ' LEU . 28.5 t 68.42 24.73 7.1 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.257 176.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.11 26.68 1.14 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.883 0.373 . . . . 15.0 110.845 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 7.8 m95 -110.51 150.18 29.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.262 0.554 . . . . 15.0 111.728 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 27.4 m -133.85 118.06 17.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.29 -0.868 . . . . 15.0 108.939 173.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.3 OUTLIER -89.89 150.66 22.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.004 0.907 . . . . 15.0 111.51 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -134.31 150.36 50.96 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 105.101 -2.185 . . . . 15.0 105.101 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.41 145.27 48.44 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.647 -1.621 . . . . 15.0 112.401 -175.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 59.0 p -89.91 150.15 22.31 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.544 -1.207 . . . . 15.0 109.023 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.41 -29.52 35.42 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.181 0.437 . . . . 15.0 112.181 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.38 4.57 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.246 0.461 . . . . 15.0 112.246 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 40.76 5.8 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.88 -0.676 . . . . 15.0 113.808 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.543 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 52.8 mtpt -124.59 128.1 48.39 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 t -98.25 150.07 21.92 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.065 -1.054 . . . . 15.0 110.003 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -138.07 126.04 22.67 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.491 -0.559 . . . . 15.0 109.491 171.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -89.63 115.2 26.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.829 -0.623 . . . . 15.0 109.525 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.1 t80 -94.86 121.21 36.22 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.529 -0.76 . . . . 15.0 110.182 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.417 ' OD1' HG22 ' A' ' 452' ' ' THR . 24.3 t-20 -89.92 115.44 27.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.838 0.351 . . . . 15.0 110.331 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -74.67 -3.26 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.488 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -88.32 -22.3 23.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.586 -0.279 . . . . 15.0 111.23 -175.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.0 t -138.86 8.76 2.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.514 0.673 . . . . 15.0 109.386 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.7 mt 64.32 20.11 12.04 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.654 -1.157 . . . . 15.0 110.956 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.549 ' HB2' HG23 ' A' ' 452' ' ' THR . 45.7 mt-10 -110.62 129.31 55.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 15.0 111.842 -174.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 3.0 p -109.52 131.78 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.58 . . . . 15.0 111.729 -177.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.69 142.85 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.66 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.4 m95 -69.92 -27.14 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.742 0.306 . . . . 15.0 111.584 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.39 144.72 27.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.229 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.4 112.64 10.71 Favored Pre-proline 0 C--O 1.234 0.255 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.111 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -71.99 150.65 55.11 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.017 2.478 . . . . 15.0 113.013 -173.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.14 -21.67 65.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.68 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.13 -2.38 37.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.813 -0.631 . . . . 15.0 110.182 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 433' ' ' SER . 29.6 tp -147.89 29.84 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.444 -0.947 . . . . 15.0 108.444 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.914 -1.039 . . . . 15.0 112.117 -174.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.925 -0.47 . . . . 15.0 111.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -79.52 51.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.307 0.575 . . . . 15.0 110.881 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.3 t -138.87 -1.1 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.517 -0.765 . . . . 15.0 110.295 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -79.12 153.89 29.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.982 -0.553 . . . . 15.0 110.437 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 462' ' ' GLU . 40.2 t -83.2 102.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.261 0.553 . . . . 15.0 111.044 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.7 t -132.88 24.42 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.566 -0.901 . . . . 15.0 108.566 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.27 7.99 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.643 -1.162 . . . . 15.0 112.06 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.476 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 10.8 m95 -113.67 150.11 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.279 0.562 . . . . 15.0 111.824 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.4 m -135.97 121.97 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.948 -1.024 . . . . 15.0 108.739 172.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 3.2 pt-20 -89.81 150.5 22.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.755 0.788 . . . . 15.0 111.076 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -138.34 150.35 46.51 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.317 -2.105 . . . . 15.0 105.317 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.015 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -121.66 140.23 52.55 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.84 -1.544 . . . . 15.0 112.954 -174.035 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.435 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 18.9 p -89.97 150.18 22.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.406 170.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.47 -29.83 37.76 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.944 0.72 . . . . 15.0 112.944 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.427 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.9 p-10 -73.18 -1.0 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 15.0 111.683 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 41.96 5.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.979 -0.629 . . . . 15.0 113.44 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.435 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 5.9 mtmp? -123.5 131.26 53.59 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 111.39 0.144 . . . . 15.0 111.39 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.015 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 13.7 t -96.06 149.99 20.98 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.869 -1.133 . . . . 15.0 108.825 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.475 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -136.67 127.15 26.77 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 39.3 m-85 -89.78 116.43 27.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.417 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.5 t80 -93.12 118.63 31.44 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.088 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 452' ' ' THR . 22.0 t-20 -91.01 115.78 28.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.154 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -72.76 -5.59 38.95 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.86 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.418 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 43.6 ttp180 -89.0 -27.45 20.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.679 0.276 . . . . 15.0 111.498 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.919 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.4 t -135.63 9.56 3.38 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.063 0.459 . . . . 15.0 110.161 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.9 mt 64.04 20.84 12.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.359 -0.837 . . . . 15.0 111.072 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.919 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.2 OUTLIER -97.37 123.03 41.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.462 -172.017 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 m -109.02 119.47 39.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.428 -0.351 . . . . 15.0 110.379 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -132.31 143.04 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.243 -0.28 . . . . 15.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.8 m95 -73.92 -18.26 60.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 15.0 110.874 -176.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -105.91 120.33 41.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.147 0.498 . . . . 15.0 111.098 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.909 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 16.6 ptpt -69.09 128.01 92.82 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.241 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.28 -171.52 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 123.008 2.472 . . . . 15.0 111.295 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.411 ' OE1' ' HE3' ' A' ' 464' ' ' LYS . 5.8 tp-100 -65.67 -12.61 55.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.117 0.484 . . . . 15.0 110.864 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.601 ' HB3' HG11 ' A' ' 432' ' ' VAL . 49.4 mt-10 -72.72 -18.77 61.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 15.0 111.897 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 17.7 tp -147.02 15.7 1.19 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 15.0 111.426 -174.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.909 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 15.1 ttpp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.346 -0.835 . . . . 15.0 110.671 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 N-CA-C 111.292 -0.723 . . . . 15.0 111.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.96 64.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.229 0.538 . . . . 15.0 110.955 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.7 m -94.37 -22.57 18.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.552 . . . . 15.0 110.645 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -152.88 117.82 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.1 -16.3 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.393 0.616 . . . . 15.0 110.044 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.8 m -76.99 18.88 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.613 -0.721 . . . . 15.0 112.494 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.9 -15.45 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.915 0.388 . . . . 15.0 110.583 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 9.2 m95 -112.07 144.6 41.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.522 0.677 . . . . 15.0 111.595 -171.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 6.3 m -126.49 109.89 12.67 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 114.6 -1.182 . . . . 15.0 108.018 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.03 150.71 21.98 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.671 0.748 . . . . 15.0 111.32 -176.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -137.23 150.29 47.76 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 103.91 -2.626 . . . . 15.0 103.91 -169.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.994 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.6 OUTLIER -111.89 148.08 34.44 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 116.914 -1.914 . . . . 15.0 111.298 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.42 150.01 22.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.53 -1.214 . . . . 15.0 108.947 169.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.06 -30.06 46.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD1' ' HD3' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -77.05 5.24 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.414 -179.137 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.62 64.13 1.78 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.903 -0.665 . . . . 15.0 112.897 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.55 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 22.8 mtpt -151.93 126.04 9.21 Favored 'General case' 0 CA--C 1.478 -1.818 0 C-N-CA 122.595 0.358 . . . . 15.0 111.022 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.994 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 2.0 m -90.03 147.88 23.4 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 108.482 -0.933 . . . . 15.0 108.482 -176.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.494 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.6 OUTLIER -137.24 126.06 24.05 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.267 0.556 . . . . 15.0 109.742 170.498 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.8 121.63 32.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.501 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 3.0 t80 -105.35 118.53 36.8 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.949 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.694 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 23.0 t-20 -89.92 121.0 31.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 15.0 110.288 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -78.88 -0.26 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.995 0.739 . . . . 15.0 112.995 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.694 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 11.8 ptt180 -102.82 -10.78 18.8 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.999 -0.68 . . . . 15.0 111.358 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.47 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.2 t -140.89 6.16 1.99 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.241 -0.651 . . . . 15.0 109.241 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 40.2 mt 61.02 20.21 10.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.094 -0.957 . . . . 15.0 111.052 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.469 ' CB ' HG23 ' A' ' 452' ' ' THR . 30.9 tt0 -95.74 125.78 40.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 15.0 111.471 -170.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 m -111.26 134.54 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.89 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.08 144.49 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.116 -0.327 . . . . 15.0 110.116 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.3 m95 -78.02 -24.24 47.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.112 0.482 . . . . 15.0 110.891 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.89 139.24 30.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.204 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 459' ' ' LYS . 18.3 ptpt -65.37 123.86 85.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.219 0.533 . . . . 15.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.36 166.27 28.88 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.594 2.196 . . . . 15.0 111.493 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.72 -13.15 29.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.296 0.569 . . . . 15.0 110.648 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.73 -11.58 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.298 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.7 tp -127.16 19.74 6.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.785 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.584 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.217 -0.353 . . . . 15.0 112.217 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.06 -28.42 68.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 15.0 111.595 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.1 t -111.6 145.98 38.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.108 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -143.24 97.38 3.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.961 0.41 . . . . 15.0 110.615 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.74 -29.1 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 15.0 110.608 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.3 m -80.6 3.83 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.752 -0.658 . . . . 15.0 111.455 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.876 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 5.6 tp10 -85.09 3.98 36.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.009 0.433 . . . . 15.0 110.526 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.549 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 4.3 m95 -119.47 150.15 40.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.548 0.69 . . . . 15.0 110.943 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.4 m -136.26 124.72 23.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.961 -1.018 . . . . 15.0 108.667 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.5 pt-20 -89.93 150.25 22.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.538 0.685 . . . . 15.0 110.31 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -139.24 150.69 45.79 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.043 -2.206 . . . . 15.0 105.043 -169.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.74 144.14 45.58 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 117.547 -1.661 . . . . 15.0 112.525 -174.552 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 38.7 p -89.83 150.18 22.35 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.629 -1.168 . . . . 15.0 109.138 170.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.86 30.28 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.185 0.809 . . . . 15.0 113.185 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.12 2.01 22.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.84 52.47 2.61 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.938 -0.648 . . . . 15.0 113.344 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.687 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 43.5 mttp -130.76 122.97 28.18 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 119.389 -0.339 . . . . 15.0 111.355 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.99 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.1 t -94.21 149.94 20.77 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 117.941 -1.504 . . . . 15.0 108.87 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.01 131.43 28.55 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.806 -0.442 . . . . 15.0 109.806 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -89.8 117.75 28.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.213 -0.662 . . . . 15.0 109.213 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.549 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 13.6 t80 -96.44 118.89 33.9 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.459 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.404 ' OD1' HG22 ' A' ' 452' ' ' THR . 25.9 t-20 -90.09 116.73 28.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.612 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.49 -11.18 60.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.965 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.876 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 31.6 mtm180 -78.78 -23.02 45.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -175.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 454' ' ' GLU . 8.0 t -141.55 8.09 1.95 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.389 0.614 . . . . 15.0 109.801 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 45.0 mt 63.66 20.64 12.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.505 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' A' ' 452' ' ' THR . 41.0 mt-10 -104.9 130.54 53.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 15.0 111.191 -175.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.0 t -120.23 124.3 45.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.598 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.72 150.32 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.105 0.479 . . . . 15.0 109.755 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.471 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.4 m95 -77.67 -2.7 37.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.216 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -95.56 132.07 41.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.518 -172.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -63.15 116.26 23.63 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.746 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.482 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 42.9 Cg_endo -68.01 166.08 26.01 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.925 2.417 . . . . 15.0 112.004 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.37 0.605 . . . . 15.0 110.621 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -88.88 -11.28 45.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.482 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 34.7 tp -144.97 29.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.504 0.669 . . . . 15.0 109.889 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.081 -178.508 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 111.506 -0.638 . . . . 15.0 111.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.9 14.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.862 0.363 . . . . 15.0 111.341 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 53.1 m -146.75 120.77 9.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.359 . . . . 15.0 111.046 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -156.13 163.17 39.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 15.0 109.759 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.82 162.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.677 -0.238 . . . . 15.0 110.434 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 t 61.7 29.12 18.0 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.308 0.575 . . . . 15.0 109.867 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 3.75 7.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.378 -0.828 . . . . 15.0 111.609 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 8.5 m95 -89.67 148.19 23.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.616 -0.513 . . . . 15.0 109.616 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.0 m -121.21 111.37 17.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.789 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.579 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -89.83 150.58 22.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.66 0.743 . . . . 15.0 110.576 178.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 84.3 m-85 -135.38 150.25 49.87 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.309 -2.108 . . . . 15.0 105.309 -173.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.955 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -122.16 141.11 51.79 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 117.542 -1.663 . . . . 15.0 112.63 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 71.1 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.243 -1.344 . . . . 15.0 109.478 173.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.72 -29.85 29.16 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -174.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -82.11 3.33 27.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.913 0.338 . . . . 15.0 111.913 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 55.72 1.93 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.836 -0.697 . . . . 15.0 113.031 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.603 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 29.8 mtpp -135.22 126.12 27.54 Favored 'General case' 0 CA--C 1.483 -1.608 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.955 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 11.2 t -100.0 150.26 22.61 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.502 -1.279 . . . . 15.0 109.129 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.592 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.7 p90 -140.23 124.41 17.69 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.098 0.475 . . . . 15.0 110.077 172.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 47.2 m-85 -90.21 117.75 29.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.342 -0.845 . . . . 15.0 109.69 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.2 120.03 32.39 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.995 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' ' 452' ' ' THR . 4.0 t-20 -90.4 124.94 35.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.1 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -83.01 -12.29 57.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.705 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.414 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 40.1 ttp180 -69.63 -36.04 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.597 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.678 HG23 ' HB2' ' A' ' 454' ' ' GLU . 8.9 t -134.25 10.7 3.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.003 0.43 . . . . 15.0 110.153 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.4 mt 61.57 24.55 14.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.293 -0.867 . . . . 15.0 110.966 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.678 ' HB2' HG23 ' A' ' 452' ' ' THR . 23.3 mm-40 -105.53 130.59 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.897 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 p -99.75 127.37 45.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.684 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -137.46 140.24 41.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.773 0.32 . . . . 15.0 110.464 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.592 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 3.8 m95 -76.07 -16.33 59.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.326 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 458' ' ' GLU . 5.3 mm-40 -105.67 168.4 9.12 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.342 0.591 . . . . 15.0 112.038 -171.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.648 ' N ' ' HD2' ' A' ' 459' ' ' LYS . 6.7 mptt -94.01 120.15 66.03 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 15.0 111.533 -167.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.577 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 91.4 Cg_endo -76.76 -173.3 1.69 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.924 2.416 . . . . 15.0 111.7 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -71.82 -25.07 61.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 15.0 111.404 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.577 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.8 pm0 -77.15 0.76 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 15.0 111.154 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 13.0 tp -137.38 12.24 3.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.978 0.418 . . . . 15.0 110.856 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 26.4 tptp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.414 -0.803 . . . . 15.0 110.028 -179.174 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.986 -0.445 . . . . 15.0 111.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -150.72 -25.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 15.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.9 m -80.23 -24.86 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.786 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.01 87.63 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.487 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 26.6 m -81.53 -18.61 11.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 15.0 110.782 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.2 m -80.73 86.48 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.277 0.561 . . . . 15.0 110.012 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.703 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 11.1 pt-20 -103.98 10.95 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.24 -0.891 . . . . 15.0 110.473 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.639 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 9.5 m95 -107.86 150.12 27.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.1 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 16.6 m -123.72 119.82 30.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.041 173.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.447 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 3.9 pt-20 -90.1 150.4 22.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.903 0.859 . . . . 15.0 111.182 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -139.19 150.65 45.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 105.108 -2.182 . . . . 15.0 105.108 -170.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.017 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -117.5 144.8 44.7 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 117.514 -1.674 . . . . 15.0 112.628 -175.134 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.476 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 28.5 p -89.68 150.17 22.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.491 -1.231 . . . . 15.0 109.176 170.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.65 -30.12 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.14 0.422 . . . . 15.0 112.14 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -0.08 16.9 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 31.93 10.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.681 -0.771 . . . . 15.0 113.483 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.508 ' HE3' ' CE3' ' A' ' 457' ' ' TRP . 29.0 mtpp -117.26 129.43 55.91 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 111.668 0.248 . . . . 15.0 111.668 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.017 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -91.42 149.89 21.5 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 118.432 -1.307 . . . . 15.0 108.81 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 457' ' ' TRP . 2.3 p90 -137.16 130.43 31.09 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -89.94 122.11 32.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.832 . . . . 15.0 109.854 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 436' ' ' THR . 11.0 t80 -97.72 119.67 36.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.217 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 17.7 t-20 -92.11 124.0 35.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.056 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -80.92 -5.11 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.767 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.703 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 24.8 ttm180 -78.36 -40.85 35.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.868 0.366 . . . . 15.0 110.829 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.434 HG22 ' OD1' ' A' ' 449' ' ' ASN . 7.0 t -129.34 9.56 5.63 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.35 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 64.1 mt 62.51 27.49 16.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.525 -0.761 . . . . 15.0 110.692 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.28 127.31 46.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.427 -0.351 . . . . 15.0 110.93 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.4 p -104.37 112.26 25.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.585 -0.28 . . . . 15.0 110.933 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -125.5 133.05 52.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.747 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.9 m95 -64.39 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 15.0 111.204 -175.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.43 125.46 35.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.408 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 20.0 ptmt -63.68 140.08 97.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.402 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 86.2 Cg_endo -73.91 168.8 23.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.194 2.596 . . . . 15.0 112.02 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.74 -29.03 70.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.923 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 3.3 mp0 -64.6 -19.25 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 15.0 111.186 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -116.57 -1.33 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.18 0.514 . . . . 15.0 110.529 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.488 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 1.2 ttpm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.794 -0.622 . . . . 15.0 110.814 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.046 -0.421 . . . . 15.0 112.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 69.14 153.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.494 0.717 . . . . 15.0 111.325 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.8 t -109.1 122.31 47.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.49 0.662 . . . . 15.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -167.12 163.89 15.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 15.0 109.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 81.5 t 68.4 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 123.808 0.693 . . . . 15.0 110.803 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 89.0 p 53.21 26.5 5.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.351 0.66 . . . . 15.0 110.49 -174.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.539 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 6.9 pt-20 -77.33 0.54 21.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.194 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.619 ' HB2' HD22 ' A' ' 463' ' ' LEU . 13.8 m95 -100.1 150.16 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.499 . . . . 15.0 110.143 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 10.5 m -128.89 121.33 27.91 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.869 -0.789 . . . . 15.0 108.869 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.79 150.33 22.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.731 0.776 . . . . 15.0 110.44 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.0 150.32 46.87 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.405 -2.072 . . . . 15.0 105.405 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.04 147.42 44.13 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.798 -1.561 . . . . 15.0 112.302 -173.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.3 p -89.69 150.34 22.38 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.566 -1.197 . . . . 15.0 109.099 173.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.12 -30.12 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.82 -0.64 44.28 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.762 0.282 . . . . 15.0 111.762 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 61.23 1.34 Allowed Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.811 -0.709 . . . . 15.0 113.239 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.547 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.259 54.3 mttp -136.77 127.89 27.89 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 122.397 0.279 . . . . 15.0 110.818 175.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.995 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.5 t -96.06 150.21 20.74 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 117.944 -1.502 . . . . 15.0 109.207 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.49 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 2.3 p90 -144.23 131.72 21.0 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.802 -0.444 . . . . 15.0 109.802 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 455' ' ' SER . 86.8 m-85 -89.91 124.61 34.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.714 . . . . 15.0 110.695 -172.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 436' ' ' THR . 6.0 t80 -104.5 120.01 40.29 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.568 -177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.6 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 4.2 t-20 -89.82 118.73 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.469 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -75.25 -10.32 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 12.2 ptt180 -93.25 -16.74 24.44 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 119.927 -0.709 . . . . 15.0 112.085 -174.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 454' ' ' GLU . 15.3 t -143.29 9.7 1.66 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.37 -0.532 . . . . 15.0 110.745 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.0 mt 64.95 23.15 12.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.09 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.616 ' HB2' HG23 ' A' ' 452' ' ' THR . 38.8 tt0 -90.23 116.76 28.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.401 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.5 m -110.83 125.46 53.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.656 0.265 . . . . 15.0 111.15 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.23 146.19 33.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.718 -0.475 . . . . 15.0 109.718 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.2 m95 -73.49 -21.89 60.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.66 141.76 28.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.071 -174.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HB3' ' HE2' ' A' ' 459' ' ' LYS . 44.6 mtpt -65.96 118.21 49.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.958 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.428 ' HG3' ' CH2' ' A' ' 435' ' ' TRP . 96.3 Cg_endo -78.34 168.27 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.586 2.191 . . . . 15.0 110.977 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.646 ' HG3' ' HD3' ' A' ' 464' ' ' LYS . 35.9 tt0 -73.63 -12.22 60.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.47 0.652 . . . . 15.0 109.515 178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.11 -0.26 27.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.148 -0.933 . . . . 15.0 110.962 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.619 HD22 ' HB2' ' A' ' 435' ' ' TRP . 25.4 tp -152.3 21.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.358 . . . . 15.0 110.575 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.646 ' HD3' ' HG3' ' A' ' 461' ' ' GLN . 21.4 pttp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 119.053 -0.499 . . . . 15.0 111.172 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.171 -0.371 . . . . 15.0 112.171 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -107.65 20.44 18.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.73 0.265 . . . . 15.0 111.71 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.9 p -68.36 -41.75 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.919 0.39 . . . . 15.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.06 105.32 12.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.128 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.2 m -90.68 8.64 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.602 0.715 . . . . 15.0 110.157 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.4 p -85.26 13.88 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.971 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.603 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 42.2 mt-10 -70.4 0.62 6.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.896 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 5.0 m95 -109.09 149.67 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.352 0.596 . . . . 15.0 111.219 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 27.5 m -136.97 118.08 14.41 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.438 -0.949 . . . . 15.0 108.438 171.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 437' ' ' GLU . 1.0 OUTLIER -90.03 150.59 22.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.691 0.758 . . . . 15.0 111.282 -178.022 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -135.23 150.32 50.05 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.466 -2.049 . . . . 15.0 105.466 -167.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.009 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.76 139.01 52.97 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 117.057 -1.857 . . . . 15.0 112.13 -175.203 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.586 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 21.0 p -89.75 150.07 22.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.066 -0.97 . . . . 15.0 110.098 173.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.55 -29.95 28.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.174 0.805 . . . . 15.0 113.174 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.25 -1.58 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.824 0.305 . . . . 15.0 111.824 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 60.91 1.36 Allowed Glycine 0 C--N 1.329 0.15 0 C-N-CA 120.937 -0.649 . . . . 15.0 112.372 177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.586 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.2 mmmm -146.81 126.92 13.74 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 111.949 0.351 . . . . 15.0 111.949 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.009 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 9.3 t -96.23 150.15 20.86 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.7 -1.2 . . . . 15.0 109.51 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -138.58 128.91 25.86 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 171.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -89.79 119.55 30.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.448 -0.575 . . . . 15.0 109.448 -173.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.566 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 4.5 t80 -97.63 116.27 29.52 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.553 -0.749 . . . . 15.0 110.126 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.87 117.47 28.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.255 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.65 -1.28 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.596 0.236 . . . . 15.0 111.3 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.603 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 38.9 ttp180 -89.48 -16.87 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 15.0 111.178 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.43 HG23 ' CB ' ' A' ' 454' ' ' GLU . 9.8 t -145.39 10.07 1.25 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.191 0.519 . . . . 15.0 109.823 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 53.4 mt 59.01 24.38 12.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.123 -0.944 . . . . 15.0 110.988 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.43 ' CB ' HG23 ' A' ' 452' ' ' THR . 8.6 tp10 -99.4 138.21 36.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.191 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -113.06 119.62 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.559 -0.291 . . . . 15.0 110.47 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -129.82 144.49 51.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.251 -0.278 . . . . 15.0 110.251 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -85.98 -13.56 47.23 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.098 0.475 . . . . 15.0 110.77 -175.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.7 mt-10 -100.26 158.36 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.903 -173.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.06 108.79 28.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.219 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 69.7 Cg_endo -84.63 -179.74 3.94 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.171 2.58 . . . . 15.0 112.023 -177.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.9 -9.49 15.61 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.105 0.478 . . . . 15.0 111.27 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -93.88 -9.05 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.253 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 28.4 tp -157.72 29.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 15.0 110.645 -172.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.617 -0.706 . . . . 15.0 110.958 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.291 -0.324 . . . . 15.0 112.291 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.89 124.73 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 20.8 p -124.94 129.03 49.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.624 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 73.87 125.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.308 1.005 . . . . 15.0 112.454 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.8 p -160.25 140.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.519 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.5 p -96.12 -104.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.612 -0.267 . . . . 15.0 111.619 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.692 ' OE1' ' HB2' ' A' ' 451' ' ' ARG . 4.5 pt-20 -91.86 8.06 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.337 0.589 . . . . 15.0 110.535 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.442 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 11.5 m95 -96.57 150.39 20.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.69 -0.686 . . . . 15.0 110.615 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 7.7 m -120.44 101.45 7.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 176.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.91 150.5 22.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.887 0.851 . . . . 15.0 111.214 -176.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 77.8 m-85 -136.53 150.73 48.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 105.067 -2.198 . . . . 15.0 105.067 -169.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.001 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -119.06 139.7 51.3 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 117.341 -1.744 . . . . 15.0 112.477 -175.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.3 p -89.96 150.3 22.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.963 -1.017 . . . . 15.0 109.91 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.15 40.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.816 0.673 . . . . 15.0 112.816 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.412 ' OD2' ' HG3' ' A' ' 444' ' ' LYS . 3.3 p-10 -73.22 -2.26 21.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.661 0.267 . . . . 15.0 111.655 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 55.9 1.92 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.987 -0.625 . . . . 15.0 112.625 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.529 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.263 31.4 mtmm -138.81 134.47 33.44 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 111.588 0.218 . . . . 15.0 111.588 178.336 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.001 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 8.8 t -96.6 149.97 21.18 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 119.19 -1.004 . . . . 15.0 109.265 176.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.612 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 1.3 p90 -135.87 123.99 23.0 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.726 -0.842 . . . . 15.0 108.726 170.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.497 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 91.2 m-85 -89.68 119.43 30.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.186 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 4.6 t80 -92.79 119.43 32.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.886 -0.597 . . . . 15.0 109.432 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.465 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.6 t-20 -89.64 113.06 24.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.207 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -71.88 -6.72 43.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.733 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.692 ' HB2' ' OE1' ' A' ' 434' ' ' GLU . 40.2 ttp180 -79.28 -26.53 42.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.392 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -136.33 5.76 3.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.447 0.642 . . . . 15.0 109.766 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 71.1 mt 64.31 17.94 11.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.912 -1.04 . . . . 15.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 452' ' ' THR . 50.0 mt-10 -110.7 130.97 55.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.663 -174.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 23.3 t -104.76 135.76 45.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.433 . . . . 15.0 110.483 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -137.36 146.04 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.811 -0.441 . . . . 15.0 109.811 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.612 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 2.6 m95 -79.01 -24.42 43.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.183 0.516 . . . . 15.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -87.44 123.39 32.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.836 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.23 116.83 46.25 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.582 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.475 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 96.8 Cg_endo -81.67 -175.67 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.799 2.333 . . . . 15.0 111.898 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -61.82 -14.51 33.82 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.271 -0.422 . . . . 15.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.69 -29.19 69.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.216 -0.447 . . . . 15.0 111.097 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.7 tp -128.72 5.33 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.566 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 27.0 mtpp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 15.0 110.805 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.114 -0.395 . . . . 15.0 112.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -79.77 125.23 29.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.651 0.226 . . . . 15.0 110.589 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 33.5 m -75.85 82.03 2.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.469 0.652 . . . . 15.0 110.845 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -149.0 116.58 6.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 15.0 109.526 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.1 m -98.0 138.2 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.314 0.578 . . . . 15.0 111.738 -176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 31.8 p -114.65 10.77 16.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.343 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.665 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 -71.28 8.62 0.96 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.643 -1.162 . . . . 15.0 111.033 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 14.4 m95 -128.27 150.09 50.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.12 0.486 . . . . 15.0 111.0 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 28.3 m -132.12 114.26 14.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.82 -0.807 . . . . 15.0 108.82 171.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -90.15 150.76 21.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.97 0.891 . . . . 15.0 111.524 -177.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -137.46 150.49 47.63 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 105.717 -1.956 . . . . 15.0 105.717 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.996 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.1 OUTLIER -120.15 139.07 53.16 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 117.54 -1.664 . . . . 15.0 112.421 -174.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 16.8 p -89.94 150.29 22.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.507 -1.224 . . . . 15.0 110.298 175.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.57 -29.91 18.94 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -78.04 -1.66 33.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 59.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.679 -0.772 . . . . 15.0 112.641 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.495 ' HB2' ' OG1' ' A' ' 440' ' ' THR 0.252 49.6 mtmt -144.84 132.76 21.31 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 122.432 0.293 . . . . 15.0 111.338 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.996 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 7.5 t -95.2 150.04 20.65 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 118.781 -1.168 . . . . 15.0 109.174 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.597 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 0.9 OUTLIER -135.83 127.49 28.99 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 455' ' ' SER . 66.9 m-85 -89.65 116.8 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.527 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.544 ' HE1' ' OD1' ' A' ' 450' ' ' ASN . 4.8 t80 -92.98 120.14 32.97 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.258 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.665 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 3.8 t-20 -98.15 116.4 30.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.376 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.544 ' OD1' ' HE1' ' A' ' 448' ' ' TYR . 3.7 m-80 -69.1 -17.85 63.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.337 0.589 . . . . 15.0 110.46 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.466 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 38.2 ttp180 -69.6 -26.64 64.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.38 -0.827 . . . . 15.0 112.0 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 454' ' ' GLU . 5.6 t -140.8 6.77 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 15.0 110.15 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.7 mt 63.34 20.51 12.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 452' ' ' THR . 40.0 tt0 -100.24 124.86 46.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.2 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 6.5 m -106.24 117.88 35.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.491 177.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -128.65 145.52 51.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.314 . . . . 15.0 110.402 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.597 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 1.6 m95 -81.57 -14.72 56.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.275 -0.421 . . . . 15.0 111.937 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -106.82 135.45 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.832 0.348 . . . . 15.0 111.055 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -57.79 127.03 78.12 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.681 -0.69 . . . . 15.0 112.468 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 60.4 Cg_endo -72.05 167.44 26.75 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.803 2.335 . . . . 15.0 111.391 172.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.94 -15.97 64.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.214 0.531 . . . . 15.0 110.554 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.61 -20.77 56.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.125 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.3 tp -113.49 -9.02 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.915 -169.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.527 -0.749 . . . . 15.0 109.957 178.732 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.538 -0.225 . . . . 15.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.15 40.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.735 0.302 . . . . 15.0 110.271 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 22.3 m 73.5 -61.46 0.5 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.485 -0.78 . . . . 15.0 111.119 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -87.16 84.38 7.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.031 0.443 . . . . 15.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 435' ' ' TRP . 12.7 p -135.85 151.08 28.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.444 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.1 p -111.48 -90.15 0.49 Allowed 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.478 0.548 . . . . 15.0 112.478 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.09 12.33 2.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 15.0 111.857 -172.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.484 ' HZ2' ' HG3' ' A' ' 462' ' ' GLU . 11.6 m95 -122.44 150.16 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.184 0.516 . . . . 15.0 111.442 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.8 m -128.9 112.8 14.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.168 -0.924 . . . . 15.0 108.916 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 5.7 pt-20 -90.01 150.18 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.4 0.619 . . . . 15.0 110.362 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 59.0 m-85 -135.85 150.4 49.37 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 105.356 -2.09 . . . . 15.0 105.356 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.979 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.8 OUTLIER -120.92 140.41 51.87 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 117.616 -1.633 . . . . 15.0 112.594 -176.292 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.726 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 40.5 p -90.1 150.27 22.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.206 168.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -51.74 -30.05 21.03 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.319 0.859 . . . . 15.0 113.319 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.04 1.53 17.69 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.872 0.323 . . . . 15.0 111.872 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.54 4.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.671 -0.776 . . . . 15.0 112.644 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.726 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 40.8 mmtm -122.24 120.65 34.78 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 119.261 -0.399 . . . . 15.0 111.794 177.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.979 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 6.3 t -96.88 150.07 21.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 117.519 -1.672 . . . . 15.0 108.46 174.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 1.1 p90 -136.06 125.18 24.46 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.161 0.505 . . . . 15.0 109.875 172.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.65 115.42 27.02 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.432 -174.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 455' ' ' SER . 5.9 t80 -93.34 120.26 33.41 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.991 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.444 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 3.8 t-20 -89.94 113.85 25.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.088 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.17 -8.66 47.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 15.0 111.041 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.444 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 59.2 ttp180 -83.11 -21.91 33.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.695 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.621 HG23 ' HB3' ' A' ' 454' ' ' GLU . 5.2 t -136.25 4.27 2.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.995 0.426 . . . . 15.0 110.069 -178.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 65.6 mt 61.7 19.32 10.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.234 -0.893 . . . . 15.0 110.383 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.621 ' HB3' HG23 ' A' ' 452' ' ' THR . 43.2 tt0 -112.01 129.56 56.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.998 -0.547 . . . . 15.0 111.324 -172.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 26.3 t -110.16 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.961 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.72 137.74 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 4.3 m95 -78.66 -21.74 47.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.536 0.684 . . . . 15.0 109.893 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.42 137.04 36.08 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.918 -1.037 . . . . 15.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 46.7 mtpt -54.9 116.55 11.51 Favored Pre-proline 0 C--O 1.233 0.229 0 O-C-N 123.66 0.6 . . . . 15.0 111.799 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.19 161.18 29.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.831 2.354 . . . . 15.0 111.409 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.81 -17.21 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.407 0.622 . . . . 15.0 110.4 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG3' ' HZ2' ' A' ' 435' ' ' TRP . 10.2 mm-40 -71.16 -14.94 62.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.314 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.4 tp -137.65 16.62 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 15.0 110.355 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.2 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.511 -0.757 . . . . 15.0 110.645 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.751 -0.539 . . . . 15.0 111.751 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.09 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.817 0.341 . . . . 15.0 110.97 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 26.5 m -138.27 95.4 3.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.212 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 462' ' ' GLU . . . -112.6 44.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.288 0.566 . . . . 15.0 110.576 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.31 139.91 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.314 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.0 m 75.46 4.89 4.08 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.851 0.72 . . . . 15.0 112.404 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -81.7 -2.79 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.18 -1.045 . . . . 15.0 108.18 172.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 460' ' ' PRO . 16.0 m95 -121.59 150.04 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.604 -1.18 . . . . 15.0 110.367 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 448' ' ' TYR . 31.2 m -126.72 113.83 17.18 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 173.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 4.8 pt-20 -89.74 150.17 22.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.616 0.722 . . . . 15.0 110.285 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 94.2 m-85 -134.73 150.35 50.57 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 105.329 -2.1 . . . . 15.0 105.329 -172.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.96 ' HD3' ' HA ' ' A' ' 445' ' ' THR . 0.0 OUTLIER -119.48 145.28 46.44 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 117.658 -1.617 . . . . 15.0 112.26 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 63.9 p -90.06 150.17 22.2 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.407 -1.27 . . . . 15.0 109.1 171.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.95 60.84 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.193 0.442 . . . . 15.0 112.193 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -77.84 1.77 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.367 -0.378 . . . . 15.0 111.931 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 61.59 1.34 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.728 -0.748 . . . . 15.0 113.093 173.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.575 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 11.1 mmmm -144.32 125.37 14.47 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 119.461 -0.304 . . . . 15.0 111.501 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.96 ' HA ' ' HD3' ' A' ' 439' ' ' LYS . 4.8 t -96.93 150.2 21.02 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 118.186 -1.406 . . . . 15.0 108.74 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 1.7 p90 -139.32 128.02 23.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.022 0.439 . . . . 15.0 110.066 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -89.84 116.41 27.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.048 -172.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 436' ' ' THR . 2.6 t80 -91.14 122.27 33.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.193 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 4.6 t-20 -96.49 124.88 40.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.261 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.54 -26.14 57.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.335 0.588 . . . . 15.0 110.341 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -66.71 -22.5 66.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.102 -0.954 . . . . 15.0 112.817 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 454' ' ' GLU . 9.8 t -136.06 4.98 3.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.99 21.55 9.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.632 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.531 ' HB3' HG23 ' A' ' 452' ' ' THR . 8.9 tp10 -113.42 141.06 47.53 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.261 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 448' ' ' TYR . 20.7 t -111.36 125.29 53.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.069 0.461 . . . . 15.0 110.629 -176.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.69 133.98 54.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.5 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 446' ' ' TYR . 3.1 m95 -70.48 -21.62 62.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.523 0.678 . . . . 15.0 110.094 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 458' ' ' GLU . 5.9 pt-20 -93.25 136.43 33.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.028 -0.987 . . . . 15.0 110.67 -175.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 40.9 ttmt -75.04 125.33 89.38 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 15.0 111.702 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 435' ' ' TRP . 84.7 Cg_endo -75.07 161.54 38.39 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.372 2.715 . . . . 15.0 112.227 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 464' ' ' LYS . 26.0 tp60 -66.19 -21.99 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.296 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 431' ' ' ALA . 1.9 mp0 -70.42 -16.22 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.358 . . . . 15.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.5 tp -127.16 4.5 6.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.258 0.552 . . . . 15.0 110.31 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 461' ' ' GLN . 10.9 tptp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.467 -0.777 . . . . 15.0 110.96 -177.478 . . . . . . . . 1 1 . 1 stop_ save_