data_2n4w_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 2n4w _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 ' 435' ' ' TRP . . . . . 0.519 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 95.4 m95 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.6 m -106.6 131.46 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.881 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.13 121.67 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 15.0 110.542 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -108.31 121.98 46.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.963 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.593 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.1 tppp? -104.63 124.15 48.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.593 -177.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.4 p -90.06 150.14 22.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.231 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.78 -30.06 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -85.33 1.64 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 15.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.29 50.84 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.874 -0.679 . . . . 15.0 113.723 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -125.99 131.53 52.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.973 -0.38 . . . . 15.0 109.973 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.593 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 9.7 m -111.48 125.49 53.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.096 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -138.1 140.99 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 15.0 110.114 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -97.05 120.62 37.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.479 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -99.3 117.64 34.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 15.0 109.444 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.7 t-20 -105.32 115.07 29.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.168 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.69 -27.04 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.064 0.459 . . . . 15.0 110.328 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -53.64 -47.6 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.512 -0.767 . . . . 15.0 111.136 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.85 -8.56 14.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.118 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 82.4 mt 67.42 24.78 8.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.721 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -102.05 136.0 42.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.737 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.9 m -108.91 122.22 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.577 . . . . 15.0 110.163 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.96 129.5 55.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.394 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -86.19 0.43 53.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.512 . . . . 15.0 110.329 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.88 150.07 51.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.262 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -60.07 126.97 85.15 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.569 -0.741 . . . . 15.0 111.873 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.519 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 44.1 Cg_endo -67.04 147.86 80.56 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.021 2.48 . . . . 15.0 111.403 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -67.71 -12.65 60.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 15.0 110.842 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -68.29 -23.49 64.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.61 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 57.4 tp -90.35 -47.4 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.73 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.602 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.175 0 O-C-N 123.81 0.694 . . . . 15.0 109.852 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.454 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.7 m95 . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.372 0.606 . . . . 15.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 79.4 m -108.44 128.64 54.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.482 -0.781 . . . . 15.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.8 140.44 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -121.85 112.85 18.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 15.0 110.096 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.697 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -89.86 115.11 26.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.151 -0.931 . . . . 15.0 110.495 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.7 p -94.07 150.29 20.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.358 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.18 -29.78 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 15.0 111.189 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.28 0.63 15.98 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.484 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.62 30.15 33.66 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.093 -0.575 . . . . 15.0 113.57 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -118.82 106.78 12.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.302 0.572 . . . . 15.0 110.831 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.8 m -92.16 104.53 16.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.369 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -100.36 135.77 41.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.513 -0.551 . . . . 15.0 109.513 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -98.62 116.14 30.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.602 -0.727 . . . . 15.0 109.874 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -99.79 125.51 45.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.223 -176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -89.81 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.04 -14.77 59.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.463 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -88.08 -34.94 17.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.896 0.379 . . . . 15.0 110.522 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 66.1 p -112.15 -2.31 15.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.367 -0.379 . . . . 15.0 111.359 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.2 mt 63.9 26.87 14.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.883 -0.599 . . . . 15.0 111.134 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -100.17 128.65 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.008 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.6 t -97.87 119.57 36.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.19 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -114.96 125.62 53.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.393 -0.367 . . . . 15.0 111.079 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -86.38 -2.45 58.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.192 0.52 . . . . 15.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 149.93 48.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.614 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 459' ' ' LYS . 31.7 mtmm -59.99 126.0 82.37 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.289 -177.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 73.4 Cg_endo -76.03 147.11 29.84 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.821 2.347 . . . . 15.0 111.977 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.5 -15.16 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.775 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.47 -20.33 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.826 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.486 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 47.0 tp -82.53 -30.09 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.945 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.78 -0.629 . . . . 15.0 110.305 -176.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 82.3 m95 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.706 0.289 . . . . 15.0 110.74 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -121.03 116.17 24.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.595 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.98 124.97 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.988 0.423 . . . . 15.0 110.76 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -109.22 114.47 28.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.237 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -92.59 124.32 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.485 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.9 p -89.85 150.15 22.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.193 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.89 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.94 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -84.43 4.65 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.574 -0.284 . . . . 15.0 111.496 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.69 43.77 5.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 15.0 113.912 170.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -130.8 129.2 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.2 m -119.06 113.39 20.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.712 0.291 . . . . 15.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -102.02 129.16 48.26 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.05 114.8 26.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.928 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -99.03 120.47 39.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.473 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 22.4 t-20 -89.93 112.0 23.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.25 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -76.34 -4.74 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.687 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 1.7 tpm_? -84.96 -38.84 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.929 0.395 . . . . 15.0 110.64 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.6 m -122.84 1.35 9.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.709 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 62.5 mt 65.64 30.15 10.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.273 0.558 . . . . 15.0 110.878 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -93.8 138.71 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.978 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.3 t -111.56 117.81 34.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.383 . . . . 15.0 110.47 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.89 138.86 47.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 15.0 109.981 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -87.35 -2.73 58.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.122 0.487 . . . . 15.0 110.511 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -116.07 142.21 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.574 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.41 122.25 87.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.794 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.683 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 33.7 Cg_endo -61.83 147.14 95.89 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.068 2.512 . . . . 15.0 111.447 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -88.27 -8.11 55.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -170.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.683 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -87.98 -10.99 48.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 15.0 110.152 175.682 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.4 -29.86 33.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.716 171.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 10.3 ptmm? . . . . . 0 C--O 1.253 1.244 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.9 m95 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.009 -0.367 . . . . 15.0 110.009 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.9 m -93.72 111.24 22.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.475 -0.33 . . . . 15.0 110.138 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -89.91 138.05 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.517 -178.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -115.2 116.13 27.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.552 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.688 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 0.3 OUTLIER -93.12 112.95 25.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.25 -178.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.8 p -89.83 150.11 22.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.693 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.36 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.782 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.23 -2.47 31.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 15.0 111.774 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 31.92 10.15 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.891 -0.671 . . . . 15.0 113.803 173.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.407 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.3 mttm -108.95 135.39 50.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.996 0.398 . . . . 15.0 110.103 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -117.87 96.36 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -100.61 136.33 40.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 15.0 110.085 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -104.11 126.59 51.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.581 -0.736 . . . . 15.0 111.149 -172.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -106.74 123.92 48.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.836 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.2 t-20 -91.82 114.92 27.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.476 -0.564 . . . . 15.0 109.476 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -75.1 -15.52 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 15.0 112.352 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 451' ' ' ARG . 44.3 ttm105 -89.99 -43.19 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.379 . . . . 15.0 111.018 -177.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.0 m -89.32 -13.37 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.446 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.4 mt 68.77 30.06 4.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.866 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -109.64 133.1 53.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.243 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 p -104.77 121.0 42.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.674 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.39 125.57 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.593 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.92 5.34 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.239 0.542 . . . . 15.0 110.065 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.96 146.92 48.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.184 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.97 118.12 70.21 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 15.0 111.518 -174.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 145.94 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.145 2.563 . . . . 15.0 112.57 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -78.03 -8.67 58.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.395 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.91 14.14 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.979 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 58.0 tp -143.55 -53.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.031 -0.985 . . . . 15.0 109.989 -177.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 83.7 m95 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.846 0.355 . . . . 15.0 110.088 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 30.6 m -104.39 116.86 32.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.024 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.85 132.34 35.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -107.54 111.48 23.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.93 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.682 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -97.14 122.51 40.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.951 -1.022 . . . . 15.0 110.47 -177.34 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.2 p -89.83 150.4 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.05 62.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.116 0.484 . . . . 15.0 110.98 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.11 0.75 23.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.658 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.52 29.94 20.26 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.971 -0.633 . . . . 15.0 114.254 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -106.88 132.14 53.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.425 0.612 . . . . 15.0 109.446 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 m -124.82 110.66 14.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 15.0 111.299 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.25 126.94 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.74 115.86 28.41 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.525 -0.762 . . . . 15.0 110.359 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.567 ' HH ' HD22 ' A' ' 453' ' ' LEU . 27.8 t80 -105.61 118.13 35.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.337 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.499 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 26.7 t-20 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 15.0 109.381 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.88 -12.43 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.781 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.499 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 37.7 ttp180 -74.66 -50.82 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 15.0 110.965 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 11.09 13.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.941 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.567 HD22 ' HH ' ' A' ' 448' ' ' TYR . 84.3 mt 63.13 30.1 16.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.086 -0.506 . . . . 15.0 111.868 174.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -90.03 132.33 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.953 -175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -107.08 118.0 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.111 0.481 . . . . 15.0 110.718 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -116.31 127.79 55.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.615 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -87.42 -19.46 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.235 0.541 . . . . 15.0 110.478 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -111.21 145.57 38.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.776 -0.647 . . . . 15.0 109.657 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -64.52 116.79 31.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.369 -0.832 . . . . 15.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -74.05 152.28 45.67 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.664 2.243 . . . . 15.0 111.85 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.25 -17.54 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.159 0.504 . . . . 15.0 110.467 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -72.97 -17.56 61.46 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.222 0.534 . . . . 15.0 110.198 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.408 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 66.4 tp -87.96 -29.84 20.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.394 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.7 ' HB2' ' HZ1' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.34 -0.838 . . . . 15.0 110.483 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.776 0.322 . . . . 15.0 110.724 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.3 m -123.19 126.99 48.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.461 -0.336 . . . . 15.0 110.727 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.617 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 9.9 pt-20 -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.293 0.568 . . . . 15.0 110.761 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -93.29 121.4 34.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.558 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -105.14 118.64 37.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.188 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 79.7 p -98.16 150.08 21.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.663 0.268 . . . . 15.0 110.682 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.96 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.043 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -79.86 0.4 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.5 -0.318 . . . . 15.0 110.976 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 61.32 1.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.871 -0.681 . . . . 15.0 113.494 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.488 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 55.6 mttp -134.07 143.83 48.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.044 0.45 . . . . 15.0 110.404 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -130.2 104.6 7.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.419 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 40.2 p90 -117.4 128.38 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.276 0.56 . . . . 15.0 110.451 176.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.617 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 73.8 m-85 -89.88 112.0 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.304 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -109.41 116.17 31.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.289 -0.869 . . . . 15.0 110.132 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 47.5 t-20 -90.31 114.99 27.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.083 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.89 -16.56 62.7 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.537 0.523 . . . . 15.0 111.656 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -89.77 -39.4 13.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.978 -174.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 30.0 p -102.89 -5.1 23.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.53 -0.304 . . . . 15.0 111.187 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 26.2 mt 65.76 24.32 11.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.705 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -99.82 129.55 45.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.425 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.34 114.93 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.435 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -124.21 126.71 46.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.279 -0.267 . . . . 15.0 110.279 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.452 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 83.0 m95 -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.108 0.48 . . . . 15.0 110.343 176.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.41 142.13 36.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.896 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -60.15 120.13 48.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 123.212 0.32 . . . . 15.0 110.893 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.7 148.1 82.46 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.648 2.232 . . . . 15.0 111.431 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -67.65 -12.14 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.178 0.513 . . . . 15.0 110.486 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.33 -28.4 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.145 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 59.7 tp -95.58 -44.52 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.9 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 463' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 O-C-N 124.705 1.253 . . . . 15.0 112.397 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.402 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.3 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 m -116.14 120.19 38.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.589 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.0 pt-20 -91.67 136.14 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.099 0.476 . . . . 15.0 111.232 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -120.6 124.86 46.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.638 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.693 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -91.25 121.29 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.194 -178.532 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.96 150.21 22.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.718 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.35 -29.92 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.6 0.592 . . . . 15.0 112.6 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -82.99 5.42 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 15.0 111.25 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.36 51.19 3.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.061 -0.59 . . . . 15.0 113.336 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -136.32 146.42 46.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.379 . . . . 15.0 110.013 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 m -124.19 113.75 18.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.894 -176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -112.76 132.75 55.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 15.0 110.161 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.656 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 64.8 m-85 -93.62 115.56 28.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.21 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.483 ' HH ' ' HB3' ' A' ' 453' ' ' LEU . 22.7 t80 -90.05 120.72 31.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.985 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.6 t-20 -90.1 115.56 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -75.55 -5.1 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.831 0.678 . . . . 15.0 112.831 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -82.05 -61.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 15.0 110.258 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.7 m -94.33 -1.19 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.119 -0.492 . . . . 15.0 110.661 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.483 ' HB3' ' HH ' ' A' ' 448' ' ' TYR . 77.9 mt 66.45 29.34 9.24 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.478 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -91.66 124.58 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.218 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -92.64 109.11 20.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.182 0.515 . . . . 15.0 110.308 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -96.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.136 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.58 -10.01 59.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.449 0.642 . . . . 15.0 109.784 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 140.36 49.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.997 -1.001 . . . . 15.0 109.035 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 57.8 mtpt -68.65 120.34 74.96 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.2 0.445 . . . . 15.0 112.2 -173.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.826 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -66.27 146.33 80.71 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.172 2.581 . . . . 15.0 111.93 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -23.9 65.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.748 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.38 -1.98 58.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.971 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.826 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 53.9 tp -82.34 -30.1 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 15.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.305 -0.855 . . . . 15.0 110.661 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.504 ' HB2' HD11 ' A' ' 463' ' ' LEU . 89.1 m95 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.906 0.384 . . . . 15.0 111.326 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 33.3 m -111.71 115.07 28.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.9 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 2.5 pt-20 -91.05 132.69 35.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.183 0.516 . . . . 15.0 110.639 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 445' ' ' THR . 95.5 m-85 -109.14 107.75 18.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.801 173.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.663 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -89.8 115.79 27.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.502 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.3 p -89.87 149.97 22.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.765 0.316 . . . . 15.0 111.219 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.521 . . . . 15.0 111.564 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.56 -0.28 19.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.711 0.291 . . . . 15.0 111.114 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 41.79 5.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.93 -0.653 . . . . 15.0 113.785 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.42 ' C ' ' HG1' ' A' ' 445' ' ' THR . 57.8 mttp -133.93 173.92 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.42 ' HG1' ' C ' ' A' ' 444' ' ' LYS . 19.4 m -149.13 113.63 5.3 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.191 -0.204 . . . . 15.0 110.971 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -101.76 125.68 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.357 -0.609 . . . . 15.0 109.357 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.609 ' CZ ' ' HB3' ' A' ' 459' ' ' LYS . 84.8 m-85 -93.37 117.75 30.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.285 -0.87 . . . . 15.0 110.528 -174.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -92.14 120.35 32.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.824 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.816 ' HB2' ' HE2' ' A' ' 456' ' ' TYR . 49.2 t-20 -89.95 109.69 20.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.889 -0.782 . . . . 15.0 108.889 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -72.92 -13.49 61.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.627 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.486 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 2.9 mmp_? -89.97 -30.27 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.645 0.239 . . . . 15.0 111.645 -176.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.7 p -118.59 -3.13 10.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.91 0.337 . . . . 15.0 111.91 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.8 mt 65.7 30.08 10.47 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.098 0.475 . . . . 15.0 110.458 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -110.89 131.12 55.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.319 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.4 m -98.48 116.54 30.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.12 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.816 ' HE2' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m-85 -101.93 142.44 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.218 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -90.07 -12.11 39.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.25 0.547 . . . . 15.0 110.404 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.85 134.59 52.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.73 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 13.4 ptmm? -84.34 131.79 49.4 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 15.0 111.051 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.668 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 35.2 Cg_endo -63.13 152.09 81.44 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.915 2.41 . . . . 15.0 111.624 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -81.56 -18.01 46.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.541 0.571 . . . . 15.0 112.541 -172.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.668 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -85.94 -9.14 57.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.906 -0.497 . . . . 15.0 110.596 178.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 435' ' ' TRP . 47.6 tp -71.23 -29.81 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.16 171.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 15.0 109.807 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.468 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 61.5 m95 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.025 0.441 . . . . 15.0 110.44 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.1 m -108.32 137.75 45.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.326 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.96 127.49 47.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 15.0 110.541 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.1 m-85 -116.72 115.52 25.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.992 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 124.0 46.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.993 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.1 p -90.01 150.46 22.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.101 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.84 -30.29 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.148 0.795 . . . . 15.0 113.148 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.41 ' CG ' ' HZ2' ' A' ' 444' ' ' LYS . 3.1 p-10 -87.94 3.81 47.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.65 0.262 . . . . 15.0 111.415 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 33.24 8.93 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.885 -0.674 . . . . 15.0 114.041 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.608 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 35.6 mtmm -110.51 128.01 55.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.404 0.602 . . . . 15.0 109.801 173.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 3.9 m -118.6 115.58 24.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.878 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -115.52 131.23 57.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.502 . . . . 15.0 110.017 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 455' ' ' SER . 94.8 m-85 -92.17 124.39 36.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -113.5 126.62 55.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.82 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.513 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 47.3 t-20 -118.69 131.58 56.15 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.882 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -83.22 -22.68 33.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.638 0.607 . . . . 15.0 112.638 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.513 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -88.09 -10.83 48.86 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.159 -0.616 . . . . 15.0 110.479 177.026 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.3 m -103.93 -25.23 13.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.904 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.9 mt 64.67 24.35 12.92 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.353 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -132.79 149.95 52.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.578 -170.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 15.7 m -118.06 124.59 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.1 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -116.22 142.29 47.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.608 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 73.4 m95 -88.29 -2.13 58.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.499 0.666 . . . . 15.0 109.685 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.56 149.84 35.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.067 -0.97 . . . . 15.0 109.478 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -74.14 129.87 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 15.0 111.051 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.468 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 71.6 Cg_endo -75.98 151.72 35.54 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.09 2.527 . . . . 15.0 111.969 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -69.34 -5.09 21.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.034 0.445 . . . . 15.0 110.819 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -85.1 -11.77 54.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.326 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.12 -30.39 12.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.941 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.487 ' HZ2' ' HB3' ' A' ' 464' ' ' LYS . 2.7 mmmp? . . . . . 0 C--O 1.243 0.723 0 CA-C-O 118.793 -0.622 . . . . 15.0 110.135 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.477 ' HB2' HD13 ' A' ' 463' ' ' LEU . 88.5 m95 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.674 0.273 . . . . 15.0 110.589 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 118.66 36.88 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.047 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 4.6 pt-20 -90.0 115.4 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 15.0 111.472 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.57 128.26 49.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.374 -0.83 . . . . 15.0 110.906 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -99.31 127.17 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.374 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 80.5 p -89.61 150.49 22.36 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.86 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.75 0.72 52.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.711 0.291 . . . . 15.0 111.505 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 39.97 5.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.927 -0.654 . . . . 15.0 114.124 173.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.564 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 57.8 mttp -112.84 139.76 48.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.644 -0.502 . . . . 15.0 109.644 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -119.51 115.87 24.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.788 -0.187 . . . . 15.0 110.638 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -116.24 132.96 56.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.309 0.576 . . . . 15.0 110.228 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.6 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 36.8 m-85 -96.53 114.64 26.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.809 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.67 118.19 36.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.46 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.454 . . . . 15.0 109.954 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -73.95 -17.25 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.939 -173.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 451' ' ' ARG . 2.1 tpm_? -77.76 -33.25 52.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 15.0 110.853 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.0 p -119.94 -2.87 10.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.673 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.1 mt 64.37 22.64 12.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.278 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.88 134.65 34.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.864 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -115.92 113.74 23.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.85 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.24 136.1 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.322 -0.251 . . . . 15.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.564 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 77.0 m95 -80.28 0.81 31.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.137 0.494 . . . . 15.0 110.368 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.06 144.06 50.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 15.0 109.777 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.648 ' HE2' HD21 ' A' ' 463' ' ' LEU . 29.1 ttmt -88.5 126.09 61.27 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.743 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.73 148.12 76.86 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.157 2.571 . . . . 15.0 111.716 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.404 ' O ' ' HE3' ' A' ' 464' ' ' LYS . 8.8 tp-100 -75.16 -5.03 42.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.848 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -19.37 22.69 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.71 -0.619 . . . . 15.0 111.395 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.648 HD21 ' HE2' ' A' ' 459' ' ' LYS . 62.3 tp -83.31 -52.42 6.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 15.0 110.351 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' A' ' 459' ' ' LYS . 80.1 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.692 -0.671 . . . . 15.0 111.045 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.502 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 99.5 m95 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.685 -0.487 . . . . 15.0 109.685 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 35.7 m -130.92 122.83 27.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.58 -0.282 . . . . 15.0 110.832 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 4.0 pt-20 -97.15 131.93 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.582 . . . . 15.0 111.324 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.9 108.18 20.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.186 171.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.599 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -95.42 116.57 28.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.034 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 35.0 p -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.2 -29.85 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 15.0 111.826 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.64 6.05 25.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.855 0.359 . . . . 15.0 111.465 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.36 35.93 7.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.811 -0.709 . . . . 15.0 114.343 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.23 129.03 56.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.132 0.466 . . . . 15.0 110.077 173.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 47.5 m -127.06 120.95 30.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.649 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -127.54 130.59 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.216 0.532 . . . . 15.0 110.413 174.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -89.98 115.53 27.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.89 . . . . 15.0 110.665 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -92.35 123.3 35.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.018 -0.992 . . . . 15.0 110.223 -177.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -89.8 112.45 23.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.798 -0.815 . . . . 15.0 108.798 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -79.78 -9.17 59.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 15.0 111.334 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -90.36 -19.42 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.616 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -129.17 -8.53 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.503 -0.317 . . . . 15.0 111.446 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.5 mt 66.63 26.77 9.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.72 134.96 51.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.568 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.4 m -99.57 123.95 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.557 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.45 128.11 55.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.007 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -77.93 -3.89 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 15.0 110.848 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 136.42 54.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.914 -0.772 . . . . 15.0 108.914 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.68 129.48 85.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.209 0.528 . . . . 15.0 111.362 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 56.5 Cg_endo -68.45 150.0 75.21 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.07 2.513 . . . . 15.0 112.517 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -68.97 -7.74 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.449 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.69 -11.82 56.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.79 -0.641 . . . . 15.0 110.925 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 435' ' ' TRP . 51.3 tp -117.07 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.395 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.25 -0.881 . . . . 15.0 110.402 -174.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 55.2 m95 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 53.9 m -115.64 121.65 43.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.643 0.259 . . . . 15.0 110.707 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.664 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.9 pt-20 -97.16 133.52 41.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 15.0 111.743 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.41 135.26 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.665 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 13.2 tppt? -106.03 122.48 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.268 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 82.1 p -89.95 150.27 22.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.441 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.37 -30.19 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 15.0 111.476 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.407 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 0.2 OUTLIER -74.8 -7.05 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.724 178.005 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.74 31.86 14.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.94 -0.648 . . . . 15.0 113.414 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.407 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 47.4 mtmt -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 m -107.25 120.32 41.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.952 -175.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -115.19 127.26 55.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.45 0.643 . . . . 15.0 110.78 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 84.3 m-85 -94.69 115.08 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.805 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.42 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 76.2 t80 -92.16 119.55 31.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.552 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 18.2 t-20 -102.33 123.16 45.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.273 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.84 -6.86 52.74 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.81 0.694 . . . . 15.0 112.33 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.432 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 78.5 ttt180 -88.65 -43.73 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.072 0.463 . . . . 15.0 111.081 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.448 HG23 ' OD1' ' A' ' 449' ' ' ASN . 9.9 t -106.84 -5.04 18.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.263 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 29.0 mt 65.93 30.18 9.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.776 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.428 ' HB2' HG22 ' A' ' 452' ' ' THR . 45.4 mt-10 -116.12 149.36 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.438 -173.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.1 m -115.28 116.76 28.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.433 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -105.48 131.56 52.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.834 -0.432 . . . . 15.0 109.834 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -76.6 3.95 10.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.33 0.586 . . . . 15.0 110.691 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -122.21 143.05 49.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.818 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.449 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 5.9 mtpm? -61.16 121.26 61.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.08 -0.341 . . . . 15.0 110.08 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.607 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -54.82 134.5 63.35 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.653 2.236 . . . . 15.0 111.419 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.7 -16.66 63.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.337 -175.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 -24.44 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.898 0.38 . . . . 15.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.607 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 63.0 tp -85.09 -30.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.04 -0.981 . . . . 15.0 111.109 173.519 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.472 ' HZ3' ' CD1' ' A' ' 456' ' ' TYR . 84.8 m95 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.794 0.331 . . . . 15.0 111.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 22.4 m -108.81 130.8 55.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 15.0 109.935 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.71 134.21 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.998 0.428 . . . . 15.0 110.755 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.68 110.7 14.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 15.0 110.655 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 13.9 tppt? -94.94 119.21 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.862 . . . . 15.0 109.552 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.6 p -89.97 150.08 22.29 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.98 37.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.512 0.56 . . . . 15.0 112.512 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -83.83 1.62 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 15.0 111.202 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.2 13.92 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.032 -0.604 . . . . 15.0 114.164 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -105.56 133.69 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.8 m -121.62 95.83 4.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.537 -0.301 . . . . 15.0 110.787 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -98.96 138.63 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.484 -0.561 . . . . 15.0 109.484 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 65.6 m-85 -103.16 116.54 32.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.976 -176.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -93.67 118.7 31.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.433 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 50.4 t-20 -89.98 115.43 27.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 176.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -74.74 -17.04 60.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.767 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -89.98 -16.8 29.12 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.437 . . . . 15.0 110.307 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.2 p -111.68 -16.7 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.861 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.4 mt 66.93 20.62 10.49 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.127 -175.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -105.26 134.9 47.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.692 -0.686 . . . . 15.0 111.79 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 p -93.39 115.1 27.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.776 . . . . 15.0 109.854 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.472 ' CD1' ' HZ3' ' A' ' 435' ' ' TRP . 74.6 m-85 -97.3 112.96 24.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.154 0.502 . . . . 15.0 111.31 -177.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -88.28 1.19 55.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.284 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -123.58 130.65 52.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.742 -1.117 . . . . 15.0 108.143 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.574 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 37.4 mtmm -64.3 119.04 52.76 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 15.0 111.392 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.93 148.92 65.04 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.137 2.558 . . . . 15.0 112.004 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -69.63 -14.13 62.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.187 0.518 . . . . 15.0 110.044 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.17 -20.24 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.118 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 49.2 tp -84.9 -29.8 24.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.84 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.333 -0.842 . . . . 15.0 109.941 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.42 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 74.4 m95 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.887 0.375 . . . . 15.0 110.414 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.3 m -129.95 117.38 20.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.514 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 123.71 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 15.0 111.099 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -104.98 122.13 45.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.809 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.468 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.3 tppp? -105.75 119.96 40.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.183 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 65.5 p -90.54 150.07 21.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.471 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.81 -29.91 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 15.0 111.589 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 444' ' ' LYS . 3.1 p30 -74.94 -6.43 49.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.71 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 39.54 6.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.803 -0.713 . . . . 15.0 113.911 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.48 ' HG3' ' OD1' ' A' ' 442' ' ' ASP . 34.5 mtmm -117.27 146.33 43.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 171.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.468 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 1.8 m -125.68 113.38 17.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.534 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -116.73 124.32 49.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.398 0.618 . . . . 15.0 110.173 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -93.39 114.89 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.572 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.401 ' HD2' ' OD1' ' A' ' 450' ' ' ASN . 35.0 t80 -91.48 128.26 37.25 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.066 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -89.98 105.87 18.1 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.576 -0.898 . . . . 15.0 108.576 175.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.401 ' OD1' ' HD2' ' A' ' 448' ' ' TYR . 81.1 m-20 -74.22 -13.3 60.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.158 -175.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -89.66 -18.89 25.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.037 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.8 m -135.75 -4.5 2.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.72 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.3 mt 68.96 29.78 4.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.031 0.532 . . . . 15.0 111.352 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -107.52 127.09 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.401 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -90.09 123.11 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.598 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -111.71 128.22 56.02 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.061 -0.348 . . . . 15.0 110.061 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -87.43 -0.96 57.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.316 0.579 . . . . 15.0 110.598 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -129.18 134.77 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.308 173.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -67.24 127.89 93.6 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.501 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 18.2 Cg_endo -59.73 133.64 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.45 2.1 . . . . 15.0 110.326 169.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.1 -4.89 23.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.24 0.543 . . . . 15.0 110.746 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.79 -27.31 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.912 172.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.43 -29.99 15.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.39 -0.823 . . . . 15.0 110.93 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.388 -0.815 . . . . 15.0 111.552 179.252 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 97.3 m95 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.427 -0.582 . . . . 15.0 109.427 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.1 m -90.04 115.66 27.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.908 0.385 . . . . 15.0 110.36 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.79 125.9 35.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.426 . . . . 15.0 111.308 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -110.68 118.1 35.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.059 -0.519 . . . . 15.0 109.961 173.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -105.85 117.18 33.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.893 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.9 p -94.81 150.04 20.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.229 -0.286 . . . . 15.0 110.229 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.35 -29.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.69 -5.89 43.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.617 . . . . 15.0 111.805 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 29.91 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.003 -0.618 . . . . 15.0 113.811 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -109.82 110.8 21.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.171 0.485 . . . . 15.0 109.742 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.9 m -108.56 99.27 8.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.51 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -97.76 126.14 42.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.313 0.578 . . . . 15.0 110.512 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -95.26 118.47 32.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.851 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.89 122.09 37.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 26.5 t-20 -89.98 115.67 27.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 0.57 43.52 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.985 0.365 . . . . 15.0 111.985 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.591 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 7.8 mmp_? -89.34 -34.64 16.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.831 0.348 . . . . 15.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -117.68 -3.45 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.107 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 91.6 mt 66.69 26.66 9.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -95.79 133.32 40.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.183 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.6 t -100.66 119.05 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.046 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -110.95 119.3 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.778 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -82.16 1.79 34.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.283 0.563 . . . . 15.0 110.482 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.87 150.0 45.49 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.478 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.43 ' HZ1' ' C ' ' A' ' 464' ' ' LYS . 51.2 mtmt -59.71 130.87 88.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -174.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.1 Cg_endo -64.26 158.62 47.64 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.004 2.47 . . . . 15.0 111.609 173.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.06 -22.22 66.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.994 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.42 -5.35 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 15.0 111.359 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.422 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 27.5 tp -95.59 -29.78 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.148 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.593 ' HZ2' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.888 0 O-C-N 123.889 0.743 . . . . 15.0 111.088 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.5 m95 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.875 -0.417 . . . . 15.0 109.875 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.8 m -118.16 110.81 18.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.044 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -92.12 126.45 37.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.288 0.566 . . . . 15.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.78 124.61 49.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.48 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.605 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -94.55 117.81 30.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.126 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.8 p -89.98 150.1 22.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.915 0.388 . . . . 15.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.29 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.125 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.36 2.03 38.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.586 0.232 . . . . 15.0 111.34 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.46 4.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.769 -0.729 . . . . 15.0 113.732 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -126.23 143.71 51.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.933 0.396 . . . . 15.0 109.968 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.0 m -127.95 97.1 4.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -98.18 132.41 43.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.349 0.595 . . . . 15.0 110.707 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -91.71 115.36 27.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -104.54 119.14 38.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.994 0.426 . . . . 15.0 110.277 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 27.0 t-20 -94.09 118.44 31.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.265 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -86.82 -2.24 58.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.071 0.463 . . . . 15.0 111.183 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.456 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 45.8 ttp180 -81.37 -38.21 26.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.589 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.2 p -120.66 -2.07 9.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.3 mt 69.81 26.22 4.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.25 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -95.72 130.55 42.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.548 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -99.62 124.61 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 15.0 110.735 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -119.79 128.04 53.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.444 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -85.71 -18.72 32.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.353 -0.61 . . . . 15.0 109.353 172.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -93.77 149.7 21.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.925 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -72.6 121.8 85.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.31 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.26 131.51 32.51 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.67 2.246 . . . . 15.0 111.681 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -83.12 -7.11 59.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 15.0 110.537 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -80.18 -4.48 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 15.0 110.172 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.9 tp -87.31 -30.07 21.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.123 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm . . . . . 0 C--O 1.253 1.259 0 CA-C-N 115.327 -0.851 . . . . 15.0 111.371 179.207 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 97.5 m95 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.653 0.263 . . . . 15.0 110.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.5 m -124.67 118.69 27.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.465 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -89.99 125.48 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.545 0.688 . . . . 15.0 111.976 -177.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.86 119.02 38.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.317 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -111.43 120.59 42.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.233 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 78.5 p -95.2 150.1 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 15.0 111.037 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.86 68.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.577 -0.738 . . . . 15.0 112.333 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.01 -0.36 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.269 . . . . 15.0 111.225 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 53.88 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 15.0 113.586 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.449 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 53.1 mttp -126.67 129.64 48.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 172.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.4 m -122.99 114.84 20.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.952 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -133.3 127.7 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.495 0.664 . . . . 15.0 110.605 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 94.0 m-85 -90.48 115.38 27.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.002 -0.999 . . . . 15.0 110.351 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -90.06 119.44 30.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.826 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -90.02 114.81 26.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.09 -12.56 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.943 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -83.61 -38.49 21.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 15.0 110.756 -176.032 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -110.94 -5.13 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.265 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.3 mt 67.36 22.2 9.55 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.641 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.451 ' OE1' ' HA ' ' A' ' 454' ' ' GLU . 6.8 mm-40 -101.33 138.33 38.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.422 -173.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.2 m -100.95 115.46 30.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.811 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.79 119.26 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.256 -0.429 . . . . 15.0 109.934 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -76.61 -10.1 59.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.357 0.598 . . . . 15.0 110.117 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 132.57 54.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.28 -0.873 . . . . 15.0 108.904 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.4 ptpp? -77.4 130.44 74.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.042 0.449 . . . . 15.0 110.717 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.55 146.54 55.58 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.625 2.216 . . . . 15.0 111.6 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.35 -7.15 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 15.0 109.91 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.15 -20.28 60.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.336 -0.847 . . . . 15.0 109.966 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.23 -45.16 5.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.739 -0.664 . . . . 15.0 110.154 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.928 0.767 . . . . 15.0 111.543 176.21 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.073 -0.714 . . . . 15.0 109.073 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.37 114.61 28.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.495 -0.32 . . . . 15.0 110.314 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.77 132.64 37.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 15.0 110.676 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -111.86 128.24 56.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.485 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.768 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -105.34 123.61 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.597 -174.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 36.2 p -90.06 150.21 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 15.0 109.097 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.92 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 -2.37 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 15.0 111.434 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 37.9 6.57 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.948 -0.644 . . . . 15.0 113.763 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.443 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 49.5 mttp -105.04 131.29 52.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 171.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.0 m -124.42 108.41 12.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.824 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -103.99 129.44 51.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.197 0.522 . . . . 15.0 109.646 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.64 116.85 28.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.608 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -98.81 119.85 38.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 15.0 110.125 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.421 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 24.9 t-20 -90.05 113.19 24.85 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.082 -0.71 . . . . 15.0 109.082 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.18 -7.08 54.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 15.0 112.073 -172.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.421 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 53.1 ttp180 -78.78 -53.88 6.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.871 0.367 . . . . 15.0 110.491 178.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 m -102.18 -5.06 24.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.114 -176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.3 mt 68.01 29.94 6.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.213 0.53 . . . . 15.0 110.661 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.38 137.42 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 15.0 111.418 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.0 t -104.59 115.69 30.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 15.0 110.058 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -107.68 115.99 31.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.856 0.36 . . . . 15.0 111.271 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -84.62 4.33 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 15.0 110.62 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -148.9 146.23 27.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.413 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 459' ' ' LYS . 33.3 ttmt -69.32 121.58 82.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 113.045 0.757 . . . . 15.0 113.045 -170.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -80.71 155.25 20.75 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.353 2.702 . . . . 15.0 111.625 171.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -71.77 -14.13 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 15.0 110.805 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.27 -20.44 61.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.263 0.554 . . . . 15.0 109.733 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.5 tp -94.87 -66.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.631 -0.713 . . . . 15.0 110.392 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.605 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.4 -0.809 . . . . 15.0 111.081 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.6 m95 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.836 0.35 . . . . 15.0 110.457 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -126.22 125.66 42.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.457 . . . . 15.0 110.461 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.759 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.3 pt-20 -100.97 128.85 46.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 15.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.72 117.67 34.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.991 0.424 . . . . 15.0 110.832 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.639 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -91.91 121.56 33.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.108 178.602 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.1 p -89.97 150.22 22.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.76 64.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.981 0.419 . . . . 15.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.25 -5.6 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.947 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 37.46 6.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.929 -0.653 . . . . 15.0 113.682 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -126.43 128.38 46.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.746 -0.464 . . . . 15.0 109.746 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.0 m -115.26 125.63 53.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.875 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -120.49 131.84 54.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.523 0.678 . . . . 15.0 110.545 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.759 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 65.6 m-85 -90.5 124.81 35.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.248 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -104.31 115.96 31.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.161 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 24.1 t-20 -98.99 117.64 33.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.749 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -73.95 -31.78 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 15.0 111.442 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 6.1 tpm_? -64.04 -38.67 91.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.194 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 m -121.79 0.97 9.9 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.981 -0.287 . . . . 15.0 111.145 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.6 mt 63.81 26.21 14.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.067 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -95.98 144.61 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.934 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 t -123.34 131.95 53.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.57 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -125.65 130.97 52.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -79.83 5.15 14.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.242 0.544 . . . . 15.0 110.655 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -127.18 143.65 51.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.212 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.584 ' HZ2' ' HB3' ' A' ' 459' ' ' LYS . 0.4 OUTLIER -72.78 125.22 91.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.444 . . . . 15.0 111.051 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.91 142.22 87.44 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.652 2.234 . . . . 15.0 111.058 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.01 -22.66 67.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.898 0.38 . . . . 15.0 110.044 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -63.87 -15.01 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.916 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.0 tp -94.93 -29.68 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.297 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.472 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 8.1 tmtm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.253 -0.88 . . . . 15.0 110.099 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.451 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 87.7 m95 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.0 m -92.02 119.6 31.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.014 0.435 . . . . 15.0 110.564 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 437' ' ' GLU . 6.7 pt-20 -89.94 112.23 23.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 15.0 110.61 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 445' ' ' THR . 56.3 m-85 -103.48 121.92 43.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.643 -177.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 117.83 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.485 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.5 p -89.96 150.35 22.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.268 -0.423 . . . . 15.0 110.567 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.95 -29.95 63.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.966 0.413 . . . . 15.0 111.313 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -3.93 39.41 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.781 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.88 30.09 13.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.013 -0.613 . . . . 15.0 113.868 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.538 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 53.3 mtpt -111.05 125.58 53.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.391 -0.476 . . . . 15.0 109.974 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 24.7 m -117.16 125.2 50.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.451 -0.34 . . . . 15.0 111.222 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.4 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 36.0 p90 -140.09 150.05 43.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.404 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -104.28 121.6 43.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.426 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -101.01 120.03 39.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.332 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -90.02 116.29 27.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.287 -0.634 . . . . 15.0 109.287 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -82.94 -11.11 58.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 15.0 111.241 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 451' ' ' ARG . 1.3 tpm_? -84.23 -31.32 25.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.306 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.4 p -116.8 -10.03 11.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.329 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.9 mt 68.38 26.78 6.62 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.213 0.605 . . . . 15.0 110.941 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -107.08 140.23 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.313 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.2 m -108.32 119.76 40.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.854 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.6 133.06 56.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.554 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.538 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 82.8 m95 -88.99 -11.53 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.233 0.54 . . . . 15.0 110.155 175.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -109.34 140.81 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.16 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -60.23 122.15 64.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.147 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.702 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 40.4 Cg_endo -67.51 150.79 80.34 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.641 2.228 . . . . 15.0 111.55 175.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.9 -9.55 52.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.539 . . . . 15.0 110.58 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.85 -6.97 53.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 15.0 109.969 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.702 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 29.2 tp -94.01 -30.06 14.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.846 -175.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.81 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.627 -0.702 . . . . 15.0 110.564 -177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . 0.541 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.019 -0.432 . . . . 15.0 112.019 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 70.22 14.29 7.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.949 0.5 . . . . 15.0 111.293 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.2 t -160.66 177.28 10.64 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.063 -0.717 . . . . 15.0 109.063 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.19 35.12 15.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.155 0.503 . . . . 15.0 110.779 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.9 t -74.04 82.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.498 0.666 . . . . 15.0 109.969 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 32.5 t -165.91 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.285 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.473 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 -78.73 -19.29 52.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.388 -0.823 . . . . 15.0 110.732 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.519 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 95.4 m95 -102.42 106.07 16.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.709 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.6 m -106.6 131.46 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.881 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.13 121.67 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 15.0 110.542 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -108.31 121.98 46.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.963 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.593 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.1 tppp? -104.63 124.15 48.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.593 -177.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.4 p -90.06 150.14 22.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.231 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.78 -30.06 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -85.33 1.64 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 15.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.29 50.84 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.874 -0.679 . . . . 15.0 113.723 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -125.99 131.53 52.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.973 -0.38 . . . . 15.0 109.973 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.593 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 9.7 m -111.48 125.49 53.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.096 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -138.1 140.99 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 15.0 110.114 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -97.05 120.62 37.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.479 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -99.3 117.64 34.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 15.0 109.444 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.473 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 25.7 t-20 -105.32 115.07 29.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.168 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.69 -27.04 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.064 0.459 . . . . 15.0 110.328 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.42 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 55.2 ttp180 -53.64 -47.6 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.512 -0.767 . . . . 15.0 111.136 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.85 -8.56 14.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.118 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 82.4 mt 67.42 24.78 8.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.721 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -102.05 136.0 42.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.737 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.9 m -108.91 122.22 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.577 . . . . 15.0 110.163 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.96 129.5 55.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.394 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -86.19 0.43 53.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.512 . . . . 15.0 110.329 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.88 150.07 51.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.262 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -60.07 126.97 85.15 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.569 -0.741 . . . . 15.0 111.873 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.519 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 44.1 Cg_endo -67.04 147.86 80.56 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.021 2.48 . . . . 15.0 111.403 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -67.71 -12.65 60.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 15.0 110.842 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.541 ' HA ' ' HA3' ' A' ' 428' ' ' GLY . 53.3 mt-10 -68.29 -23.49 64.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.61 174.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 57.4 tp -90.35 -47.4 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.73 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.602 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.175 0 O-C-N 123.81 0.694 . . . . 15.0 109.852 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.477 -0.649 . . . . 15.0 111.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.58 81.16 4.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.021 0.438 . . . . 15.0 111.388 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.3 p -126.52 13.24 7.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.798 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -126.59 149.66 49.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.59 . . . . 15.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.69 -37.58 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.695 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.6 t -100.67 178.56 4.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.016 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.738 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 15.4 mm-40 -94.78 94.63 8.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.321 . . . . 15.0 110.727 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.454 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.7 m95 -131.62 111.14 11.45 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.372 0.606 . . . . 15.0 110.801 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 79.4 m -108.44 128.64 54.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.482 -0.781 . . . . 15.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.8 140.44 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -121.85 112.85 18.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 15.0 110.096 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.697 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -89.86 115.11 26.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.151 -0.931 . . . . 15.0 110.495 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.7 p -94.07 150.29 20.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.358 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.18 -29.78 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 15.0 111.189 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.28 0.63 15.98 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.484 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.62 30.15 33.66 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.093 -0.575 . . . . 15.0 113.57 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -118.82 106.78 12.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.302 0.572 . . . . 15.0 110.831 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.8 m -92.16 104.53 16.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.369 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -100.36 135.77 41.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.513 -0.551 . . . . 15.0 109.513 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -98.62 116.14 30.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.602 -0.727 . . . . 15.0 109.874 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -99.79 125.51 45.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.223 -176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 44.9 t-20 -89.81 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.04 -14.77 59.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.463 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.738 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 14.8 ttm180 -88.08 -34.94 17.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.896 0.379 . . . . 15.0 110.522 -175.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 66.1 p -112.15 -2.31 15.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.367 -0.379 . . . . 15.0 111.359 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.2 mt 63.9 26.87 14.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.883 -0.599 . . . . 15.0 111.134 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -100.17 128.65 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.008 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.6 t -97.87 119.57 36.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.19 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -114.96 125.62 53.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.393 -0.367 . . . . 15.0 111.079 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -86.38 -2.45 58.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.192 0.52 . . . . 15.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 149.93 48.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.614 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 459' ' ' LYS . 31.7 mtmm -59.99 126.0 82.37 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.289 -177.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 73.4 Cg_endo -76.03 147.11 29.84 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.821 2.347 . . . . 15.0 111.977 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.5 -15.16 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.775 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.47 -20.33 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.826 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.486 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 47.0 tp -82.53 -30.09 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.945 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.78 -0.629 . . . . 15.0 110.305 -176.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.565 -0.614 . . . . 15.0 111.565 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -72.23 144.56 48.41 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.339 -0.245 . . . . 15.0 110.339 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.5 p -82.62 24.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.023 0.379 . . . . 15.0 112.023 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.37 93.32 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.8 t -84.38 77.8 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.523 0.677 . . . . 15.0 111.47 -172.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.8 m -104.9 3.04 30.47 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.471 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.592 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 5.5 mm-40 -79.65 -21.75 44.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.967 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 82.3 m95 -111.39 116.0 30.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.74 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -121.03 116.17 24.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.595 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.98 124.97 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.988 0.423 . . . . 15.0 110.76 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -109.22 114.47 28.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.237 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -92.59 124.32 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.485 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.9 p -89.85 150.15 22.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.193 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.89 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.94 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -84.43 4.65 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.574 -0.284 . . . . 15.0 111.496 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.69 43.77 5.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 15.0 113.912 170.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -130.8 129.2 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.2 m -119.06 113.39 20.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.712 0.291 . . . . 15.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -102.02 129.16 48.26 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.05 114.8 26.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.928 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -99.03 120.47 39.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.473 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 22.4 t-20 -89.93 112.0 23.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.25 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -76.34 -4.74 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.687 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.592 ' HD2' ' OE2' ' A' ' 434' ' ' GLU . 1.7 tpm_? -84.96 -38.84 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.929 0.395 . . . . 15.0 110.64 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.6 m -122.84 1.35 9.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.709 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 62.5 mt 65.64 30.15 10.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.273 0.558 . . . . 15.0 110.878 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -93.8 138.71 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.978 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.3 t -111.56 117.81 34.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.383 . . . . 15.0 110.47 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.89 138.86 47.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 15.0 109.981 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -87.35 -2.73 58.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.122 0.487 . . . . 15.0 110.511 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -116.07 142.21 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.574 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.41 122.25 87.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.794 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.683 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 33.7 Cg_endo -61.83 147.14 95.89 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.068 2.512 . . . . 15.0 111.447 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -88.27 -8.11 55.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -170.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.683 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -87.98 -10.99 48.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 15.0 110.152 175.682 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.4 -29.86 33.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.716 171.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 10.3 ptmm? . . . . . 0 C--O 1.253 1.244 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.902 -0.479 . . . . 15.0 111.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -158.27 142.0 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.671 0.272 . . . . 15.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.3 t -102.49 156.78 17.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 15.0 109.527 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 69.95 165.58 0.27 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.336 0.654 . . . . 15.0 111.063 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 463' ' ' LEU . 94.2 t 68.79 -66.95 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.996 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.0 t -82.39 -11.95 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 15.0 111.369 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -95.35 -0.94 52.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 15.0 111.13 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.9 m95 -98.67 107.66 20.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.009 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.9 m -93.72 111.24 22.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.475 -0.33 . . . . 15.0 110.138 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -89.91 138.05 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.517 -178.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -115.2 116.13 27.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.552 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.688 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 0.3 OUTLIER -93.12 112.95 25.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.25 -178.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.8 p -89.83 150.11 22.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.693 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.36 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.782 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.23 -2.47 31.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 15.0 111.774 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 31.92 10.15 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.891 -0.671 . . . . 15.0 113.803 173.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.407 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.3 mttm -108.95 135.39 50.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.996 0.398 . . . . 15.0 110.103 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -117.87 96.36 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -100.61 136.33 40.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 15.0 110.085 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -104.11 126.59 51.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.581 -0.736 . . . . 15.0 111.149 -172.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -106.74 123.92 48.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.836 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.2 t-20 -91.82 114.92 27.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.476 -0.564 . . . . 15.0 109.476 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -75.1 -15.52 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 15.0 112.352 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 451' ' ' ARG . 44.3 ttm105 -89.99 -43.19 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.379 . . . . 15.0 111.018 -177.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.0 m -89.32 -13.37 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.446 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.4 mt 68.77 30.06 4.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.866 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -109.64 133.1 53.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.243 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 p -104.77 121.0 42.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.674 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.39 125.57 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.593 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.92 5.34 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.239 0.542 . . . . 15.0 110.065 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.96 146.92 48.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.184 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.97 118.12 70.21 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 15.0 111.518 -174.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 145.94 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.145 2.563 . . . . 15.0 112.57 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -78.03 -8.67 58.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.395 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.91 14.14 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.979 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 432' ' ' VAL . 58.0 tp -143.55 -53.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.031 -0.985 . . . . 15.0 109.989 -177.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.576 -0.61 . . . . 15.0 111.576 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.76 123.67 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 15.0 111.31 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.9 p -91.71 103.09 15.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.292 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -62.61 124.8 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.044 0.45 . . . . 15.0 111.75 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.37 2.94 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.914 0.864 . . . . 15.0 109.451 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.1 m -77.72 82.89 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.155 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.567 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.3 tp10 -94.71 -5.28 45.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.845 0.831 . . . . 15.0 109.276 173.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -98.54 113.78 25.94 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.048 -0.978 . . . . 15.0 110.088 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 30.6 m -104.39 116.86 32.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.024 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.85 132.34 35.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -107.54 111.48 23.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.93 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.682 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -97.14 122.51 40.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.951 -1.022 . . . . 15.0 110.47 -177.34 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.2 p -89.83 150.4 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.05 62.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.116 0.484 . . . . 15.0 110.98 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.11 0.75 23.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.658 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.52 29.94 20.26 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.971 -0.633 . . . . 15.0 114.254 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -106.88 132.14 53.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.425 0.612 . . . . 15.0 109.446 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 m -124.82 110.66 14.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 15.0 111.299 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.25 126.94 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.74 115.86 28.41 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.525 -0.762 . . . . 15.0 110.359 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.567 ' HH ' HD22 ' A' ' 453' ' ' LEU . 27.8 t80 -105.61 118.13 35.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.337 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.499 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 26.7 t-20 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 15.0 109.381 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.88 -12.43 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.781 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.567 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 37.7 ttp180 -74.66 -50.82 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 15.0 110.965 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 11.09 13.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.941 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.567 HD22 ' HH ' ' A' ' 448' ' ' TYR . 84.3 mt 63.13 30.1 16.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.086 -0.506 . . . . 15.0 111.868 174.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -90.03 132.33 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.953 -175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -107.08 118.0 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.111 0.481 . . . . 15.0 110.718 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -116.31 127.79 55.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.615 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -87.42 -19.46 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.235 0.541 . . . . 15.0 110.478 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -111.21 145.57 38.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.776 -0.647 . . . . 15.0 109.657 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -64.52 116.79 31.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.369 -0.832 . . . . 15.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -74.05 152.28 45.67 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.664 2.243 . . . . 15.0 111.85 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.25 -17.54 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.159 0.504 . . . . 15.0 110.467 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -72.97 -17.56 61.46 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.222 0.534 . . . . 15.0 110.198 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.408 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 66.4 tp -87.96 -29.84 20.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.394 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.7 ' HB2' ' HZ1' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.34 -0.838 . . . . 15.0 110.483 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.939 -0.464 . . . . 15.0 111.939 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.57 -10.93 35.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 15.0 110.73 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.8 m -64.25 113.93 3.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.513 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -105.69 135.19 47.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.092 -0.336 . . . . 15.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.634 HG21 ' HG2' ' A' ' 434' ' ' GLU . 4.4 p -67.39 114.1 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.314 0.578 . . . . 15.0 110.882 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.8 p -126.79 15.82 7.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.487 0.66 . . . . 15.0 109.529 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.634 ' HG2' HG21 ' A' ' 432' ' ' VAL . 0.6 OUTLIER -68.33 -18.18 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.555 -178.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -90.11 118.91 30.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.724 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.3 m -123.19 126.99 48.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.461 -0.336 . . . . 15.0 110.727 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.617 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 9.9 pt-20 -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.293 0.568 . . . . 15.0 110.761 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -93.29 121.4 34.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.558 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -105.14 118.64 37.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.188 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 79.7 p -98.16 150.08 21.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.663 0.268 . . . . 15.0 110.682 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.96 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.043 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -79.86 0.4 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.5 -0.318 . . . . 15.0 110.976 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 61.32 1.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.871 -0.681 . . . . 15.0 113.494 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.488 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 55.6 mttp -134.07 143.83 48.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.044 0.45 . . . . 15.0 110.404 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -130.2 104.6 7.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.419 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 40.2 p90 -117.4 128.38 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.276 0.56 . . . . 15.0 110.451 176.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.617 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 73.8 m-85 -89.88 112.0 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.304 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -109.41 116.17 31.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.289 -0.869 . . . . 15.0 110.132 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 47.5 t-20 -90.31 114.99 27.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.083 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.89 -16.56 62.7 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.537 0.523 . . . . 15.0 111.656 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -89.77 -39.4 13.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.978 -174.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 30.0 p -102.89 -5.1 23.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.53 -0.304 . . . . 15.0 111.187 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 26.2 mt 65.76 24.32 11.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.705 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -99.82 129.55 45.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.425 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.34 114.93 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.435 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -124.21 126.71 46.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.279 -0.267 . . . . 15.0 110.279 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.452 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 83.0 m95 -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.108 0.48 . . . . 15.0 110.343 176.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.41 142.13 36.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.896 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -60.15 120.13 48.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 123.212 0.32 . . . . 15.0 110.893 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.7 148.1 82.46 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.648 2.232 . . . . 15.0 111.431 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -67.65 -12.14 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.178 0.513 . . . . 15.0 110.486 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.33 -28.4 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.145 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 59.7 tp -95.58 -44.52 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.9 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 463' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 O-C-N 124.705 1.253 . . . . 15.0 112.397 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.772 -0.531 . . . . 15.0 111.772 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.25 84.42 7.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.078 0.466 . . . . 15.0 110.814 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.4 t -71.94 -16.64 62.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 15.0 110.184 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -113.13 103.8 11.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.759 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.19 89.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 15.0 110.65 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -141.47 -31.29 0.58 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.478 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.48 -9.23 58.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.044 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.402 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.3 m95 -89.86 107.33 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 176.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 m -116.14 120.19 38.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.589 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.656 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.0 pt-20 -91.67 136.14 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.099 0.476 . . . . 15.0 111.232 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -120.6 124.86 46.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.638 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.693 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -91.25 121.29 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.194 -178.532 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.96 150.21 22.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.718 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.35 -29.92 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.6 0.592 . . . . 15.0 112.6 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -82.99 5.42 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 15.0 111.25 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.36 51.19 3.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.061 -0.59 . . . . 15.0 113.336 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -136.32 146.42 46.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.379 . . . . 15.0 110.013 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 m -124.19 113.75 18.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.894 -176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -112.76 132.75 55.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 15.0 110.161 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.656 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 64.8 m-85 -93.62 115.56 28.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.21 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.483 ' HH ' ' HB3' ' A' ' 453' ' ' LEU . 22.7 t80 -90.05 120.72 31.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.985 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.6 t-20 -90.1 115.56 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -75.55 -5.1 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.831 0.678 . . . . 15.0 112.831 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -82.05 -61.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 15.0 110.258 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.7 m -94.33 -1.19 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.119 -0.492 . . . . 15.0 110.661 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.483 ' HB3' ' HH ' ' A' ' 448' ' ' TYR . 77.9 mt 66.45 29.34 9.24 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.478 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -91.66 124.58 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.218 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -92.64 109.11 20.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.182 0.515 . . . . 15.0 110.308 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -96.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.136 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.58 -10.01 59.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.449 0.642 . . . . 15.0 109.784 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 140.36 49.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.997 -1.001 . . . . 15.0 109.035 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 57.8 mtpt -68.65 120.34 74.96 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.2 0.445 . . . . 15.0 112.2 -173.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.826 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -66.27 146.33 80.71 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.172 2.581 . . . . 15.0 111.93 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -23.9 65.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.748 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.38 -1.98 58.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.971 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.826 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 53.9 tp -82.34 -30.1 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 15.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.305 -0.855 . . . . 15.0 110.661 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.316 -0.314 . . . . 15.0 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.92 105.53 17.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 15.0 110.238 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.3 t -102.13 -4.58 25.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.713 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.41 110.48 0.05 OUTLIER 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.902 0.751 . . . . 15.0 111.369 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.4 m -83.0 91.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.842 0.829 . . . . 15.0 110.946 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.9 t -101.05 14.76 30.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.497 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.432 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 9.6 mm-40 -76.67 -3.41 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.354 -0.839 . . . . 15.0 110.839 -175.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.504 ' HB2' HD11 ' A' ' 463' ' ' LEU . 89.1 m95 -98.65 119.12 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.326 -175.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 33.3 m -111.71 115.07 28.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.9 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 2.5 pt-20 -91.05 132.69 35.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.183 0.516 . . . . 15.0 110.639 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 445' ' ' THR . 95.5 m-85 -109.14 107.75 18.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.801 173.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.663 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -89.8 115.79 27.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.502 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.3 p -89.87 149.97 22.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.765 0.316 . . . . 15.0 111.219 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.521 . . . . 15.0 111.564 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.56 -0.28 19.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.711 0.291 . . . . 15.0 111.114 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 41.79 5.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.93 -0.653 . . . . 15.0 113.785 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.42 ' C ' ' HG1' ' A' ' 445' ' ' THR . 57.8 mttp -133.93 173.92 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.42 ' HG1' ' C ' ' A' ' 444' ' ' LYS . 19.4 m -149.13 113.63 5.3 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.191 -0.204 . . . . 15.0 110.971 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -101.76 125.68 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.357 -0.609 . . . . 15.0 109.357 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.609 ' CZ ' ' HB3' ' A' ' 459' ' ' LYS . 84.8 m-85 -93.37 117.75 30.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.285 -0.87 . . . . 15.0 110.528 -174.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -92.14 120.35 32.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.824 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.816 ' HB2' ' HE2' ' A' ' 456' ' ' TYR . 49.2 t-20 -89.95 109.69 20.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.889 -0.782 . . . . 15.0 108.889 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -72.92 -13.49 61.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.627 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.486 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 2.9 mmp_? -89.97 -30.27 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.645 0.239 . . . . 15.0 111.645 -176.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.7 p -118.59 -3.13 10.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.91 0.337 . . . . 15.0 111.91 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.8 mt 65.7 30.08 10.47 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.098 0.475 . . . . 15.0 110.458 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -110.89 131.12 55.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.319 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.4 m -98.48 116.54 30.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.12 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.816 ' HE2' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m-85 -101.93 142.44 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.218 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -90.07 -12.11 39.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.25 0.547 . . . . 15.0 110.404 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.85 134.59 52.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.73 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 13.4 ptmm? -84.34 131.79 49.4 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 15.0 111.051 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.668 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 35.2 Cg_endo -63.13 152.09 81.44 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.915 2.41 . . . . 15.0 111.624 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -81.56 -18.01 46.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.541 0.571 . . . . 15.0 112.541 -172.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.668 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -85.94 -9.14 57.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.906 -0.497 . . . . 15.0 110.596 178.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 435' ' ' TRP . 47.6 tp -71.23 -29.81 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.16 171.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 15.0 109.807 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 461' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.254 -0.338 . . . . 15.0 112.254 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -165.31 172.27 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.6 p -75.15 -70.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 15.0 110.616 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -168.26 92.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.067 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 434' ' ' GLU . 10.3 p -72.73 135.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.773 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -68.37 -1.25 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.373 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 36.5 mt-10 -89.77 -11.0 43.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.755 0.312 . . . . 15.0 111.182 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.468 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 61.5 m95 -108.27 110.19 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.025 0.441 . . . . 15.0 110.44 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.1 m -108.32 137.75 45.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.326 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.96 127.49 47.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 15.0 110.541 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.1 m-85 -116.72 115.52 25.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.992 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 124.0 46.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.993 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.1 p -90.01 150.46 22.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.101 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.84 -30.29 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.148 0.795 . . . . 15.0 113.148 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.41 ' CG ' ' HZ2' ' A' ' 444' ' ' LYS . 3.1 p-10 -87.94 3.81 47.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.65 0.262 . . . . 15.0 111.415 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 33.24 8.93 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.885 -0.674 . . . . 15.0 114.041 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.608 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 35.6 mtmm -110.51 128.01 55.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.404 0.602 . . . . 15.0 109.801 173.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 3.9 m -118.6 115.58 24.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.878 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -115.52 131.23 57.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.502 . . . . 15.0 110.017 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 455' ' ' SER . 94.8 m-85 -92.17 124.39 36.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -113.5 126.62 55.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.82 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 47.3 t-20 -118.69 131.58 56.15 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.882 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -83.22 -22.68 33.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.638 0.607 . . . . 15.0 112.638 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.513 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -88.09 -10.83 48.86 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.159 -0.616 . . . . 15.0 110.479 177.026 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.3 m -103.93 -25.23 13.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.904 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.9 mt 64.67 24.35 12.92 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.353 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -132.79 149.95 52.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.578 -170.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 15.7 m -118.06 124.59 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.1 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -116.22 142.29 47.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.608 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 73.4 m95 -88.29 -2.13 58.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.499 0.666 . . . . 15.0 109.685 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.56 149.84 35.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.067 -0.97 . . . . 15.0 109.478 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -74.14 129.87 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 15.0 111.051 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.468 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 71.6 Cg_endo -75.98 151.72 35.54 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.09 2.527 . . . . 15.0 111.969 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.455 ' O ' ' HA3' ' A' ' 428' ' ' GLY . 47.7 tp60 -69.34 -5.09 21.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.034 0.445 . . . . 15.0 110.819 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -85.1 -11.77 54.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.326 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.12 -30.39 12.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.941 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.487 ' HZ2' ' HB3' ' A' ' 464' ' ' LYS . 2.7 mmmp? . . . . . 0 C--O 1.243 0.723 0 CA-C-O 118.793 -0.622 . . . . 15.0 110.135 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.974 -0.45 . . . . 15.0 111.974 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -93.34 -57.03 2.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 117.024 0.412 . . . . 15.0 110.343 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 89.9 m 70.48 -59.53 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.529 0.518 . . . . 15.0 112.252 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -78.99 104.39 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.0 0.428 . . . . 15.0 111.313 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.7 m -133.0 123.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.973 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 65.9 m 59.17 74.83 0.43 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.617 0.722 . . . . 15.0 110.428 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 2.0 mp0 -90.24 98.46 11.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.382 -178.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.477 ' HB2' HD13 ' A' ' 463' ' ' LEU . 88.5 m95 -127.84 117.18 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.589 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 118.66 36.88 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.047 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 4.6 pt-20 -90.0 115.4 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 15.0 111.472 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.57 128.26 49.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.374 -0.83 . . . . 15.0 110.906 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -99.31 127.17 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.374 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 80.5 p -89.61 150.49 22.36 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.86 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.75 0.72 52.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.711 0.291 . . . . 15.0 111.505 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 39.97 5.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.927 -0.654 . . . . 15.0 114.124 173.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.564 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 57.8 mttp -112.84 139.76 48.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.644 -0.502 . . . . 15.0 109.644 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -119.51 115.87 24.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.788 -0.187 . . . . 15.0 110.638 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -116.24 132.96 56.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.309 0.576 . . . . 15.0 110.228 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.6 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 36.8 m-85 -96.53 114.64 26.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.809 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.67 118.19 36.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.46 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.9 t-20 -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.454 . . . . 15.0 109.954 176.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -73.95 -17.25 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.939 -173.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.481 ' HD2' ' OE2' ' A' ' 434' ' ' GLU . 2.1 tpm_? -77.76 -33.25 52.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 15.0 110.853 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.0 p -119.94 -2.87 10.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.673 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.1 mt 64.37 22.64 12.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.278 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.88 134.65 34.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.864 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -115.92 113.74 23.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.85 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.24 136.1 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.322 -0.251 . . . . 15.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.564 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 77.0 m95 -80.28 0.81 31.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.137 0.494 . . . . 15.0 110.368 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.06 144.06 50.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 15.0 109.777 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.648 ' HE2' HD21 ' A' ' 463' ' ' LEU . 29.1 ttmt -88.5 126.09 61.27 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.743 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.73 148.12 76.86 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.157 2.571 . . . . 15.0 111.716 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.404 ' O ' ' HE3' ' A' ' 464' ' ' LYS . 8.8 tp-100 -75.16 -5.03 42.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.848 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -19.37 22.69 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.71 -0.619 . . . . 15.0 111.395 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.648 HD21 ' HE2' ' A' ' 459' ' ' LYS . 62.3 tp -83.31 -52.42 6.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 15.0 110.351 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' A' ' 459' ' ' LYS . 80.1 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.692 -0.671 . . . . 15.0 111.045 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 112.14 -0.384 . . . . 15.0 112.14 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -98.94 82.27 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 15.0 110.407 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.0 t -172.02 159.01 4.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.419 -0.809 . . . . 15.0 109.651 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -78.96 -17.92 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 15.0 110.765 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.21 -36.62 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.835 -0.621 . . . . 15.0 111.18 -178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.9 p -79.62 -3.65 48.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.573 -0.285 . . . . 15.0 111.691 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.94 -3.54 55.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.172 0.51 . . . . 15.0 110.373 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.502 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 99.5 m95 -105.56 121.03 43.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.685 175.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 35.7 m -130.92 122.83 27.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.58 -0.282 . . . . 15.0 110.832 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 4.0 pt-20 -97.15 131.93 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.582 . . . . 15.0 111.324 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.9 108.18 20.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.186 171.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.599 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -95.42 116.57 28.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.034 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 35.0 p -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.2 -29.85 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 15.0 111.826 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.64 6.05 25.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.855 0.359 . . . . 15.0 111.465 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.36 35.93 7.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.811 -0.709 . . . . 15.0 114.343 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.23 129.03 56.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.132 0.466 . . . . 15.0 110.077 173.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 47.5 m -127.06 120.95 30.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.649 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -127.54 130.59 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.216 0.532 . . . . 15.0 110.413 174.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -89.98 115.53 27.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.89 . . . . 15.0 110.665 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -92.35 123.3 35.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.018 -0.992 . . . . 15.0 110.223 -177.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -89.8 112.45 23.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.798 -0.815 . . . . 15.0 108.798 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -79.78 -9.17 59.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 15.0 111.334 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -90.36 -19.42 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.616 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -129.17 -8.53 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.503 -0.317 . . . . 15.0 111.446 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.5 mt 66.63 26.77 9.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.72 134.96 51.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.568 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.4 m -99.57 123.95 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.557 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.45 128.11 55.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.007 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -77.93 -3.89 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 15.0 110.848 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 136.42 54.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.914 -0.772 . . . . 15.0 108.914 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.68 129.48 85.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.209 0.528 . . . . 15.0 111.362 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 56.5 Cg_endo -68.45 150.0 75.21 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.07 2.513 . . . . 15.0 112.517 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -68.97 -7.74 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.449 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.69 -11.82 56.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.79 -0.641 . . . . 15.0 110.925 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 435' ' ' TRP . 51.3 tp -117.07 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.395 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.25 -0.881 . . . . 15.0 110.402 -174.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.773 -0.531 . . . . 15.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.4 108.97 20.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.876 0.369 . . . . 15.0 110.699 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.36 -15.7 20.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.374 0.607 . . . . 15.0 110.403 176.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -93.74 154.81 17.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.06 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.484 HG11 ' H ' ' A' ' 434' ' ' GLU . 25.7 t -96.23 134.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.287 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.5 t -83.87 14.39 4.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 15.0 110.643 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.484 ' H ' HG11 ' A' ' 432' ' ' VAL . 37.2 tt0 -76.06 -7.43 54.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.467 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 55.2 m95 -114.51 122.86 47.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.049 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 53.9 m -115.64 121.65 43.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.643 0.259 . . . . 15.0 110.707 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.664 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.9 pt-20 -97.16 133.52 41.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 15.0 111.743 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.41 135.26 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.665 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 13.2 tppt? -106.03 122.48 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.268 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 82.1 p -89.95 150.27 22.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.441 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.37 -30.19 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 15.0 111.476 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.407 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 0.2 OUTLIER -74.8 -7.05 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.724 178.005 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.74 31.86 14.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.94 -0.648 . . . . 15.0 113.414 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.407 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 47.4 mtmt -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 m -107.25 120.32 41.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.952 -175.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -115.19 127.26 55.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.45 0.643 . . . . 15.0 110.78 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 84.3 m-85 -94.69 115.08 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.805 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.42 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 76.2 t80 -92.16 119.55 31.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.552 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 18.2 t-20 -102.33 123.16 45.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.273 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.84 -6.86 52.74 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.81 0.694 . . . . 15.0 112.33 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.432 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 78.5 ttt180 -88.65 -43.73 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.072 0.463 . . . . 15.0 111.081 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.448 HG23 ' OD1' ' A' ' 449' ' ' ASN . 9.9 t -106.84 -5.04 18.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.263 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 29.0 mt 65.93 30.18 9.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.776 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.428 ' HB2' HG22 ' A' ' 452' ' ' THR . 45.4 mt-10 -116.12 149.36 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.438 -173.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.1 m -115.28 116.76 28.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.433 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -105.48 131.56 52.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.834 -0.432 . . . . 15.0 109.834 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -76.6 3.95 10.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.33 0.586 . . . . 15.0 110.691 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -122.21 143.05 49.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.818 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.449 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 5.9 mtpm? -61.16 121.26 61.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.08 -0.341 . . . . 15.0 110.08 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.607 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -54.82 134.5 63.35 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.653 2.236 . . . . 15.0 111.419 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.7 -16.66 63.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.337 -175.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 -24.44 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.898 0.38 . . . . 15.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.607 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 63.0 tp -85.09 -30.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.04 -0.981 . . . . 15.0 111.109 173.519 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.918 -0.473 . . . . 15.0 111.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -114.8 -43.3 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.931 0.395 . . . . 15.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.3 t -152.05 -169.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.724 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 75.95 -37.2 0.3 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.861 0.864 . . . . 15.0 111.876 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.583 HG13 ' HD1' ' A' ' 435' ' ' TRP . 65.7 t -55.67 120.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 15.0 110.482 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.7 p -142.88 -8.97 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.037 0.446 . . . . 15.0 111.455 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.6 OUTLIER -105.71 -12.72 15.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.555 0.576 . . . . 15.0 112.555 -178.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.583 ' HD1' HG13 ' A' ' 432' ' ' VAL . 84.8 m95 -101.73 117.82 35.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 15.0 111.298 -174.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 22.4 m -108.81 130.8 55.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 15.0 109.935 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.71 134.21 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.998 0.428 . . . . 15.0 110.755 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.68 110.7 14.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 15.0 110.655 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 13.9 tppt? -94.94 119.21 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.862 . . . . 15.0 109.552 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.6 p -89.97 150.08 22.29 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.98 37.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.512 0.56 . . . . 15.0 112.512 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -83.83 1.62 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 15.0 111.202 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.2 13.92 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.032 -0.604 . . . . 15.0 114.164 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -105.56 133.69 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.8 m -121.62 95.83 4.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.537 -0.301 . . . . 15.0 110.787 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -98.96 138.63 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.484 -0.561 . . . . 15.0 109.484 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 65.6 m-85 -103.16 116.54 32.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.976 -176.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -93.67 118.7 31.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.433 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 50.4 t-20 -89.98 115.43 27.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 176.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -74.74 -17.04 60.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.767 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -89.98 -16.8 29.12 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.437 . . . . 15.0 110.307 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.2 p -111.68 -16.7 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.861 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.4 mt 66.93 20.62 10.49 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.127 -175.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -105.26 134.9 47.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.692 -0.686 . . . . 15.0 111.79 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 p -93.39 115.1 27.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.776 . . . . 15.0 109.854 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.472 ' CD1' ' HZ3' ' A' ' 435' ' ' TRP . 74.6 m-85 -97.3 112.96 24.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.154 0.502 . . . . 15.0 111.31 -177.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -88.28 1.19 55.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.284 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -123.58 130.65 52.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.742 -1.117 . . . . 15.0 108.143 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.574 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 37.4 mtmm -64.3 119.04 52.76 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 15.0 111.392 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.93 148.92 65.04 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.137 2.558 . . . . 15.0 112.004 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -69.63 -14.13 62.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.187 0.518 . . . . 15.0 110.044 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.17 -20.24 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.118 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 49.2 tp -84.9 -29.8 24.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.84 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.333 -0.842 . . . . 15.0 109.941 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.152 -0.379 . . . . 15.0 112.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -162.7 169.89 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.9 p -85.98 -4.47 59.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.998 0.428 . . . . 15.0 111.36 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -139.33 98.44 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.055 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.48 101.7 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.648 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.9 t -123.33 -5.1 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.112 0.482 . . . . 15.0 109.942 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.461 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 12.9 mp0 -92.8 -17.02 24.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.951 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.42 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 74.4 m95 -120.29 119.48 33.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.414 -177.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.3 m -129.95 117.38 20.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.514 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 123.71 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 15.0 111.099 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -104.98 122.13 45.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.809 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.468 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.3 tppp? -105.75 119.96 40.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.183 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 65.5 p -90.54 150.07 21.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.471 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.81 -29.91 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 15.0 111.589 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 444' ' ' LYS . 3.1 p30 -74.94 -6.43 49.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.71 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 39.54 6.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.803 -0.713 . . . . 15.0 113.911 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.48 ' HG3' ' OD1' ' A' ' 442' ' ' ASP . 34.5 mtmm -117.27 146.33 43.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 171.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.468 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 1.8 m -125.68 113.38 17.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.534 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -116.73 124.32 49.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.398 0.618 . . . . 15.0 110.173 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -93.39 114.89 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.572 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.401 ' HD2' ' OD1' ' A' ' 450' ' ' ASN . 35.0 t80 -91.48 128.26 37.25 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.066 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 47.0 t-20 -89.98 105.87 18.1 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.576 -0.898 . . . . 15.0 108.576 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.401 ' OD1' ' HD2' ' A' ' 448' ' ' TYR . 81.1 m-20 -74.22 -13.3 60.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.158 -175.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.461 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 17.3 tpp180 -89.66 -18.89 25.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.037 -176.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.8 m -135.75 -4.5 2.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.72 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.3 mt 68.96 29.78 4.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.031 0.532 . . . . 15.0 111.352 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -107.52 127.09 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.401 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -90.09 123.11 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.598 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -111.71 128.22 56.02 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.061 -0.348 . . . . 15.0 110.061 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -87.43 -0.96 57.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.316 0.579 . . . . 15.0 110.598 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -129.18 134.77 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.308 173.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -67.24 127.89 93.6 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.501 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 18.2 Cg_endo -59.73 133.64 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.45 2.1 . . . . 15.0 110.326 169.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.1 -4.89 23.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.24 0.543 . . . . 15.0 110.746 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.79 -27.31 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.912 172.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.43 -29.99 15.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.39 -0.823 . . . . 15.0 110.93 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.388 -0.815 . . . . 15.0 111.552 179.252 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.338 -0.305 . . . . 15.0 112.338 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -117.64 130.82 56.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.706 -0.291 . . . . 15.0 110.553 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.4 p -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.09 0.471 . . . . 15.0 110.744 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.6 138.44 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.488 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.442 HG22 ' HD1' ' A' ' 435' ' ' TRP . 17.3 m -91.34 137.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.335 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.4 p -85.8 -0.54 55.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.927 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.525 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 32.0 mt-10 -78.97 -6.07 55.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.015 0.436 . . . . 15.0 110.981 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 97.3 m95 -104.62 107.17 17.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.825 -0.625 . . . . 15.0 109.427 172.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.1 m -90.04 115.66 27.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.908 0.385 . . . . 15.0 110.36 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.79 125.9 35.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.426 . . . . 15.0 111.308 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -110.68 118.1 35.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.059 -0.519 . . . . 15.0 109.961 173.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -105.85 117.18 33.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.893 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.9 p -94.81 150.04 20.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.229 -0.286 . . . . 15.0 110.229 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.35 -29.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.69 -5.89 43.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.617 . . . . 15.0 111.805 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 29.91 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.003 -0.618 . . . . 15.0 113.811 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -109.82 110.8 21.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.171 0.485 . . . . 15.0 109.742 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.9 m -108.56 99.27 8.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.51 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -97.76 126.14 42.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.313 0.578 . . . . 15.0 110.512 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -95.26 118.47 32.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.851 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.89 122.09 37.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 26.5 t-20 -89.98 115.67 27.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 0.57 43.52 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.985 0.365 . . . . 15.0 111.985 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.591 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 7.8 mmp_? -89.34 -34.64 16.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.831 0.348 . . . . 15.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -117.68 -3.45 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.107 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 91.6 mt 66.69 26.66 9.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -95.79 133.32 40.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.183 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.6 t -100.66 119.05 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.046 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -110.95 119.3 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.778 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -82.16 1.79 34.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.283 0.563 . . . . 15.0 110.482 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.87 150.0 45.49 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.478 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.43 ' HZ1' ' C ' ' A' ' 464' ' ' LYS . 51.2 mtmt -59.71 130.87 88.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -174.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.1 Cg_endo -64.26 158.62 47.64 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.004 2.47 . . . . 15.0 111.609 173.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.06 -22.22 66.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.994 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.42 -5.35 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 15.0 111.359 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.422 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 27.5 tp -95.59 -29.78 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.148 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.593 ' HZ2' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.888 0 O-C-N 123.889 0.743 . . . . 15.0 111.088 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.127 -0.389 . . . . 15.0 112.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -154.8 113.12 3.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 15.0 110.425 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.8 t -150.59 19.58 0.82 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.325 0.583 . . . . 15.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -133.68 154.51 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.388 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.72 136.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.462 . . . . 15.0 111.023 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 t -124.91 -14.98 6.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.628 . . . . 15.0 109.843 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.527 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 22.1 mt-10 -68.46 -23.33 64.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.224 0.535 . . . . 15.0 110.308 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.5 m95 -112.22 117.88 33.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.406 -0.815 . . . . 15.0 109.875 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.8 m -118.16 110.81 18.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.044 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -92.12 126.45 37.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.288 0.566 . . . . 15.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.78 124.61 49.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.48 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.605 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -94.55 117.81 30.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.126 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.8 p -89.98 150.1 22.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.915 0.388 . . . . 15.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.29 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.125 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.36 2.03 38.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.586 0.232 . . . . 15.0 111.34 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.46 4.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.769 -0.729 . . . . 15.0 113.732 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -126.23 143.71 51.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.933 0.396 . . . . 15.0 109.968 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.0 m -127.95 97.1 4.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -98.18 132.41 43.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.349 0.595 . . . . 15.0 110.707 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -91.71 115.36 27.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -104.54 119.14 38.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.994 0.426 . . . . 15.0 110.277 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 27.0 t-20 -94.09 118.44 31.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.265 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -86.82 -2.24 58.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.071 0.463 . . . . 15.0 111.183 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.527 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 45.8 ttp180 -81.37 -38.21 26.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.589 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.2 p -120.66 -2.07 9.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.3 mt 69.81 26.22 4.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.25 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -95.72 130.55 42.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.548 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -99.62 124.61 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 15.0 110.735 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -119.79 128.04 53.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.444 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -85.71 -18.72 32.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.353 -0.61 . . . . 15.0 109.353 172.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -93.77 149.7 21.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.925 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -72.6 121.8 85.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.31 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.26 131.51 32.51 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.67 2.246 . . . . 15.0 111.681 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -83.12 -7.11 59.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 15.0 110.537 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -80.18 -4.48 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 15.0 110.172 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.9 tp -87.31 -30.07 21.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.123 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm . . . . . 0 C--O 1.253 1.259 0 CA-C-N 115.327 -0.851 . . . . 15.0 111.371 179.207 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.784 -0.526 . . . . 15.0 111.784 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 58.14 66.76 1.04 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.166 0.508 . . . . 15.0 110.896 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.5 m -69.23 106.49 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 15.0 110.183 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -128.27 151.57 49.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 15.0 111.009 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.1 p -153.43 115.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.844 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.4 m -89.75 3.1 53.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.052 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.576 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 28.1 mm-40 -84.93 -15.08 45.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.221 -176.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -117.13 118.81 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.478 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.5 m -124.67 118.69 27.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.465 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -89.99 125.48 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.545 0.688 . . . . 15.0 111.976 -177.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.86 119.02 38.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.317 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -111.43 120.59 42.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.233 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 78.5 p -95.2 150.1 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 15.0 111.037 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.86 68.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.577 -0.738 . . . . 15.0 112.333 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.01 -0.36 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.269 . . . . 15.0 111.225 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 53.88 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 15.0 113.586 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.449 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 53.1 mttp -126.67 129.64 48.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 172.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.4 m -122.99 114.84 20.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.952 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -133.3 127.7 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.495 0.664 . . . . 15.0 110.605 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 94.0 m-85 -90.48 115.38 27.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.002 -0.999 . . . . 15.0 110.351 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -90.06 119.44 30.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.826 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -90.02 114.81 26.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.09 -12.56 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.943 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.576 ' HD2' ' OE1' ' A' ' 434' ' ' GLU . 0.4 OUTLIER -83.61 -38.49 21.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 15.0 110.756 -176.032 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -110.94 -5.13 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.265 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.3 mt 67.36 22.2 9.55 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.641 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.451 ' OE1' ' HA ' ' A' ' 454' ' ' GLU . 6.8 mm-40 -101.33 138.33 38.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.422 -173.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.2 m -100.95 115.46 30.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.811 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.79 119.26 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.256 -0.429 . . . . 15.0 109.934 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -76.61 -10.1 59.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.357 0.598 . . . . 15.0 110.117 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 132.57 54.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.28 -0.873 . . . . 15.0 108.904 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.4 ptpp? -77.4 130.44 74.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.042 0.449 . . . . 15.0 110.717 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.55 146.54 55.58 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.625 2.216 . . . . 15.0 111.6 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.35 -7.15 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 15.0 109.91 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.15 -20.28 60.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.336 -0.847 . . . . 15.0 109.966 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.23 -45.16 5.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.739 -0.664 . . . . 15.0 110.154 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.928 0.767 . . . . 15.0 111.543 176.21 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.629 -0.588 . . . . 15.0 111.629 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.71 -48.85 7.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.333 0.587 . . . . 15.0 109.745 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.7 p -109.2 -73.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.229 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 65.48 109.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.037 0.836 . . . . 15.0 111.359 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.461 HG13 ' NH1' ' A' ' 451' ' ' ARG . 4.7 p -140.47 105.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.634 0.73 . . . . 15.0 111.088 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.3 p -107.25 9.18 30.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.791 -0.64 . . . . 15.0 109.988 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.84 86.14 2.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.655 -176.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -130.3 114.37 15.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.057 -0.974 . . . . 15.0 109.073 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.37 114.61 28.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.495 -0.32 . . . . 15.0 110.314 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.77 132.64 37.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 15.0 110.676 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -111.86 128.24 56.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.485 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.768 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -105.34 123.61 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.597 -174.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 36.2 p -90.06 150.21 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 15.0 109.097 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.92 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 -2.37 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 15.0 111.434 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 37.9 6.57 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.948 -0.644 . . . . 15.0 113.763 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.443 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 49.5 mttp -105.04 131.29 52.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 171.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.0 m -124.42 108.41 12.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.824 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -103.99 129.44 51.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.197 0.522 . . . . 15.0 109.646 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.64 116.85 28.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.608 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -98.81 119.85 38.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 15.0 110.125 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.421 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 24.9 t-20 -90.05 113.19 24.85 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.082 -0.71 . . . . 15.0 109.082 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.18 -7.08 54.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 15.0 112.073 -172.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.461 ' NH1' HG13 ' A' ' 432' ' ' VAL . 53.1 ttp180 -78.78 -53.88 6.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.871 0.367 . . . . 15.0 110.491 178.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 m -102.18 -5.06 24.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.114 -176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.3 mt 68.01 29.94 6.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.213 0.53 . . . . 15.0 110.661 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.38 137.42 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 15.0 111.418 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.0 t -104.59 115.69 30.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 15.0 110.058 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -107.68 115.99 31.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.856 0.36 . . . . 15.0 111.271 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -84.62 4.33 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 15.0 110.62 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -148.9 146.23 27.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.413 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 459' ' ' LYS . 33.3 ttmt -69.32 121.58 82.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 113.045 0.757 . . . . 15.0 113.045 -170.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -80.71 155.25 20.75 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.353 2.702 . . . . 15.0 111.625 171.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -71.77 -14.13 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 15.0 110.805 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.27 -20.44 61.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.263 0.554 . . . . 15.0 109.733 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.5 tp -94.87 -66.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.631 -0.713 . . . . 15.0 110.392 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.605 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.4 -0.809 . . . . 15.0 111.081 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 110.901 -0.879 . . . . 15.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 56.49 27.48 12.29 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.221 0.534 . . . . 15.0 110.469 -174.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.9 m -68.16 -44.08 76.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.64 -0.709 . . . . 15.0 111.148 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 51.2 78.51 0.11 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 123.647 0.592 . . . . 15.0 111.401 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.726 HG21 ' H ' ' A' ' 434' ' ' GLU . 11.8 p -134.78 135.11 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.719 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.3 m -84.26 -0.98 54.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 15.0 111.155 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.726 ' H ' HG21 ' A' ' 432' ' ' VAL . 8.1 tp10 -84.8 -7.36 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.078 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.6 m95 -134.94 113.32 11.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.457 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -126.22 125.66 42.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.457 . . . . 15.0 110.461 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.759 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.3 pt-20 -100.97 128.85 46.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 15.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.72 117.67 34.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.991 0.424 . . . . 15.0 110.832 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.639 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -91.91 121.56 33.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.108 178.602 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.1 p -89.97 150.22 22.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.76 64.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.981 0.419 . . . . 15.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.25 -5.6 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.947 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 37.46 6.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.929 -0.653 . . . . 15.0 113.682 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -126.43 128.38 46.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.746 -0.464 . . . . 15.0 109.746 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.0 m -115.26 125.63 53.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.875 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -120.49 131.84 54.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.523 0.678 . . . . 15.0 110.545 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.759 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 65.6 m-85 -90.5 124.81 35.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.248 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -104.31 115.96 31.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.161 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 24.1 t-20 -98.99 117.64 33.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.749 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -73.95 -31.78 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 15.0 111.442 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 6.1 tpm_? -64.04 -38.67 91.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.194 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 m -121.79 0.97 9.9 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.981 -0.287 . . . . 15.0 111.145 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.6 mt 63.81 26.21 14.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.067 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -95.98 144.61 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.934 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 t -123.34 131.95 53.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.57 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -125.65 130.97 52.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -79.83 5.15 14.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.242 0.544 . . . . 15.0 110.655 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -127.18 143.65 51.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.212 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.584 ' HZ2' ' HB3' ' A' ' 459' ' ' LYS . 0.4 OUTLIER -72.78 125.22 91.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.444 . . . . 15.0 111.051 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.91 142.22 87.44 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.652 2.234 . . . . 15.0 111.058 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.01 -22.66 67.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.898 0.38 . . . . 15.0 110.044 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -63.87 -15.01 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.916 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.0 tp -94.93 -29.68 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.297 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.472 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 8.1 tmtm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.253 -0.88 . . . . 15.0 110.099 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.688 -0.565 . . . . 15.0 111.688 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.94 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.445 0.641 . . . . 15.0 109.734 174.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.8 t -118.28 165.14 14.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 15.0 109.859 176.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -93.26 -39.34 11.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.723 0.297 . . . . 15.0 110.756 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.36 123.19 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 121.278 0.561 . . . . 15.0 110.219 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.2 m -93.85 -4.07 50.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.408 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.54 -19.65 62.14 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.642 -0.503 . . . . 15.0 109.642 174.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.451 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 87.7 m95 -99.08 103.58 15.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.047 169.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.0 m -92.02 119.6 31.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.014 0.435 . . . . 15.0 110.564 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 437' ' ' GLU . 6.7 pt-20 -89.94 112.23 23.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 15.0 110.61 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 445' ' ' THR . 56.3 m-85 -103.48 121.92 43.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.643 -177.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 117.83 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.485 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.5 p -89.96 150.35 22.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.268 -0.423 . . . . 15.0 110.567 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.95 -29.95 63.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.966 0.413 . . . . 15.0 111.313 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -3.93 39.41 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.781 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.88 30.09 13.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.013 -0.613 . . . . 15.0 113.868 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.538 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 53.3 mtpt -111.05 125.58 53.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.391 -0.476 . . . . 15.0 109.974 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 24.7 m -117.16 125.2 50.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.451 -0.34 . . . . 15.0 111.222 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.4 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 36.0 p90 -140.09 150.05 43.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.404 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -104.28 121.6 43.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.426 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -101.01 120.03 39.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.332 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -90.02 116.29 27.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.287 -0.634 . . . . 15.0 109.287 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -82.94 -11.11 58.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 15.0 111.241 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 451' ' ' ARG . 1.3 tpm_? -84.23 -31.32 25.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.306 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.4 p -116.8 -10.03 11.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.329 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.9 mt 68.38 26.78 6.62 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.213 0.605 . . . . 15.0 110.941 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -107.08 140.23 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.313 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.2 m -108.32 119.76 40.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.854 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.6 133.06 56.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.554 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.538 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 82.8 m95 -88.99 -11.53 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.233 0.54 . . . . 15.0 110.155 175.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -109.34 140.81 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.16 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -60.23 122.15 64.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.147 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.702 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 40.4 Cg_endo -67.51 150.79 80.34 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.641 2.228 . . . . 15.0 111.55 175.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.9 -9.55 52.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.539 . . . . 15.0 110.58 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.85 -6.97 53.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 15.0 109.969 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.702 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 29.2 tp -94.01 -30.06 14.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.846 -175.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.81 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.627 -0.702 . . . . 15.0 110.564 -177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.521 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 95.4 m95 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.6 m -106.6 131.46 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.881 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.13 121.67 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 15.0 110.542 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -108.31 121.98 46.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.963 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.614 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.1 tppp? -104.63 124.15 48.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.593 -177.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.4 p -90.06 150.14 22.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.231 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.78 -30.06 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -85.33 1.64 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 15.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.29 50.84 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.874 -0.679 . . . . 15.0 113.723 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -125.99 131.53 52.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.973 -0.38 . . . . 15.0 109.973 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.614 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 9.7 m -111.48 125.49 53.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.096 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -138.1 140.99 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 15.0 110.114 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -97.05 120.62 37.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.479 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -99.3 117.64 34.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 15.0 109.444 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.7 t-20 -105.32 115.07 29.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.168 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.69 -27.04 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.064 0.459 . . . . 15.0 110.328 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -53.64 -47.6 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.512 -0.767 . . . . 15.0 111.136 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.85 -8.56 14.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.118 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 82.4 mt 67.42 24.78 8.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.721 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -102.05 136.0 42.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.737 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.9 m -108.91 122.22 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.577 . . . . 15.0 110.163 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.96 129.5 55.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.394 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -86.19 0.43 53.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.512 . . . . 15.0 110.329 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.88 150.07 51.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.262 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' A' ' 459' ' ' LYS . 31.0 mttp -60.07 126.97 85.15 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.569 -0.741 . . . . 15.0 111.873 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.521 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 44.1 Cg_endo -67.04 147.86 80.56 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.021 2.48 . . . . 15.0 111.403 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -67.71 -12.65 60.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 15.0 110.842 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -68.29 -23.49 64.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.61 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 57.4 tp -90.35 -47.4 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.73 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.602 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.175 0 O-C-N 123.81 0.694 . . . . 15.0 109.852 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.463 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.7 m95 . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.372 0.606 . . . . 15.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 79.4 m -108.44 128.64 54.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.482 -0.781 . . . . 15.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.8 140.44 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -121.85 112.85 18.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 15.0 110.096 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.611 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -89.86 115.11 26.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.151 -0.931 . . . . 15.0 110.495 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.7 p -94.07 150.29 20.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.358 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.18 -29.78 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 15.0 111.189 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.28 0.63 15.98 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.484 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.62 30.15 33.66 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.093 -0.575 . . . . 15.0 113.57 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -118.82 106.78 12.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.302 0.572 . . . . 15.0 110.831 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.8 m -92.16 104.53 16.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.369 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -100.36 135.77 41.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.513 -0.551 . . . . 15.0 109.513 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -98.62 116.14 30.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.602 -0.727 . . . . 15.0 109.874 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -99.79 125.51 45.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.223 -176.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -89.81 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.04 -14.77 59.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.463 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -88.08 -34.94 17.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.896 0.379 . . . . 15.0 110.522 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 66.1 p -112.15 -2.31 15.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.367 -0.379 . . . . 15.0 111.359 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.2 mt 63.9 26.87 14.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.883 -0.599 . . . . 15.0 111.134 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -100.17 128.65 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.008 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.6 t -97.87 119.57 36.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.19 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -114.96 125.62 53.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.393 -0.367 . . . . 15.0 111.079 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -86.38 -2.45 58.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.192 0.52 . . . . 15.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 149.93 48.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.614 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -59.99 126.0 82.37 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.289 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.519 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 73.4 Cg_endo -76.03 147.11 29.84 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.821 2.347 . . . . 15.0 111.977 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.5 -15.16 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.775 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.47 -20.33 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.826 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.519 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 47.0 tp -82.53 -30.09 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.945 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.78 -0.629 . . . . 15.0 110.305 -176.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 82.3 m95 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.706 0.289 . . . . 15.0 110.74 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -121.03 116.17 24.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.595 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.98 124.97 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.988 0.423 . . . . 15.0 110.76 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -109.22 114.47 28.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.237 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 124.32 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.9 p -89.85 150.15 22.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.193 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.89 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.94 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -84.43 4.65 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.574 -0.284 . . . . 15.0 111.496 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.69 43.77 5.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 15.0 113.912 170.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -130.8 129.2 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.2 m -119.06 113.39 20.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.712 0.291 . . . . 15.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -102.02 129.16 48.26 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.05 114.8 26.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.928 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -99.03 120.47 39.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.473 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.605 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 22.4 t-20 -89.93 112.0 23.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.25 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -76.34 -4.74 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.687 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 1.7 tpm_? -84.96 -38.84 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.929 0.395 . . . . 15.0 110.64 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.6 m -122.84 1.35 9.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.709 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 62.5 mt 65.64 30.15 10.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.273 0.558 . . . . 15.0 110.878 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -93.8 138.71 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.978 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.3 t -111.56 117.81 34.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.383 . . . . 15.0 110.47 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.89 138.86 47.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 15.0 109.981 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -87.35 -2.73 58.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.122 0.487 . . . . 15.0 110.511 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -116.07 142.21 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.574 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.41 122.25 87.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.794 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.692 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 33.7 Cg_endo -61.83 147.14 95.89 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.068 2.512 . . . . 15.0 111.447 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -88.27 -8.11 55.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -170.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.692 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -87.98 -10.99 48.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 15.0 110.152 175.682 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.4 -29.86 33.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.716 171.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 10.3 ptmm? . . . . . 0 C--O 1.253 1.244 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.409 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.9 m95 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.009 -0.367 . . . . 15.0 110.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.9 m -93.72 111.24 22.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.475 -0.33 . . . . 15.0 110.138 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -89.91 138.05 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.517 -178.299 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -115.2 116.13 27.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.552 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.12 112.95 25.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.25 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.8 p -89.83 150.11 22.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.693 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.36 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.782 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.23 -2.47 31.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 15.0 111.774 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 31.92 10.15 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.891 -0.671 . . . . 15.0 113.803 173.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.411 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.3 mttm -108.95 135.39 50.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.996 0.398 . . . . 15.0 110.103 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -117.87 96.36 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -100.61 136.33 40.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 15.0 110.085 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -104.11 126.59 51.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.581 -0.736 . . . . 15.0 111.149 -172.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -106.74 123.92 48.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.836 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.2 t-20 -91.82 114.92 27.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.476 -0.564 . . . . 15.0 109.476 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -75.1 -15.52 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 15.0 112.352 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 451' ' ' ARG . 44.3 ttm105 -89.99 -43.19 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.379 . . . . 15.0 111.018 -177.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.0 m -89.32 -13.37 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.446 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.4 mt 68.77 30.06 4.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.866 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -109.64 133.1 53.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.243 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 p -104.77 121.0 42.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.674 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.39 125.57 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.593 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.92 5.34 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.239 0.542 . . . . 15.0 110.065 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.96 146.92 48.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.184 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.97 118.12 70.21 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 15.0 111.518 -174.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 145.94 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.145 2.563 . . . . 15.0 112.57 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -78.03 -8.67 58.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.395 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.91 14.14 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.979 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 58.0 tp -143.55 -53.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.031 -0.985 . . . . 15.0 109.989 -177.845 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 83.7 m95 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.846 0.355 . . . . 15.0 110.088 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 30.6 m -104.39 116.86 32.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.024 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.85 132.34 35.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -107.54 111.48 23.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.93 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.408 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -97.14 122.51 40.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.951 -1.022 . . . . 15.0 110.47 -177.34 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.2 p -89.83 150.4 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.05 62.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.116 0.484 . . . . 15.0 110.98 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.11 0.75 23.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.658 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.52 29.94 20.26 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.971 -0.633 . . . . 15.0 114.254 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -106.88 132.14 53.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.425 0.612 . . . . 15.0 109.446 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 m -124.82 110.66 14.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 15.0 111.299 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.25 126.94 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.74 115.86 28.41 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.525 -0.762 . . . . 15.0 110.359 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -105.61 118.13 35.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.337 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 26.7 t-20 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 15.0 109.381 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.88 -12.43 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.781 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.505 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 37.7 ttp180 -74.66 -50.82 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 15.0 110.965 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 11.09 13.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.941 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.3 mt 63.13 30.1 16.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.086 -0.506 . . . . 15.0 111.868 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -90.03 132.33 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.953 -175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -107.08 118.0 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.111 0.481 . . . . 15.0 110.718 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -116.31 127.79 55.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.615 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -87.42 -19.46 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.235 0.541 . . . . 15.0 110.478 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -111.21 145.57 38.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.776 -0.647 . . . . 15.0 109.657 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -64.52 116.79 31.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.369 -0.832 . . . . 15.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.436 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -74.05 152.28 45.67 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.664 2.243 . . . . 15.0 111.85 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.25 -17.54 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.159 0.504 . . . . 15.0 110.467 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -72.97 -17.56 61.46 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.222 0.534 . . . . 15.0 110.198 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.436 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 66.4 tp -87.96 -29.84 20.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.394 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.34 -0.838 . . . . 15.0 110.483 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.776 0.322 . . . . 15.0 110.724 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.3 m -123.19 126.99 48.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.461 -0.336 . . . . 15.0 110.727 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 9.9 pt-20 -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.293 0.568 . . . . 15.0 110.761 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -93.29 121.4 34.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.558 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -105.14 118.64 37.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.188 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.491 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 79.7 p -98.16 150.08 21.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.663 0.268 . . . . 15.0 110.682 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.96 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.043 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -79.86 0.4 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.5 -0.318 . . . . 15.0 110.976 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 61.32 1.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.871 -0.681 . . . . 15.0 113.494 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.491 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 55.6 mttp -134.07 143.83 48.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.044 0.45 . . . . 15.0 110.404 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -130.2 104.6 7.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.429 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 40.2 p90 -117.4 128.38 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.276 0.56 . . . . 15.0 110.451 176.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.625 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 73.8 m-85 -89.88 112.0 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.304 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -109.41 116.17 31.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.289 -0.869 . . . . 15.0 110.132 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 47.5 t-20 -90.31 114.99 27.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.083 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.89 -16.56 62.7 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.537 0.523 . . . . 15.0 111.656 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -89.77 -39.4 13.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.978 -174.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 30.0 p -102.89 -5.1 23.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.53 -0.304 . . . . 15.0 111.187 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 26.2 mt 65.76 24.32 11.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.705 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -99.82 129.55 45.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.425 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.34 114.93 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.435 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -124.21 126.71 46.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.279 -0.267 . . . . 15.0 110.279 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 83.0 m95 -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.108 0.48 . . . . 15.0 110.343 176.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.41 142.13 36.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.896 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 58.9 mttp -60.15 120.13 48.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 123.212 0.32 . . . . 15.0 110.893 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 37.4 Cg_endo -66.7 148.1 82.46 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.648 2.232 . . . . 15.0 111.431 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -67.65 -12.14 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.178 0.513 . . . . 15.0 110.486 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.33 -28.4 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.145 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 59.7 tp -95.58 -44.52 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.9 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 463' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 O-C-N 124.705 1.253 . . . . 15.0 112.397 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.3 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 m -116.14 120.19 38.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.589 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.664 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.0 pt-20 -91.67 136.14 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.099 0.476 . . . . 15.0 111.232 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -120.6 124.86 46.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.638 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.5 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -91.25 121.29 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.194 -178.532 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.96 150.21 22.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.718 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.35 -29.92 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.6 0.592 . . . . 15.0 112.6 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -82.99 5.42 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 15.0 111.25 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.36 51.19 3.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.061 -0.59 . . . . 15.0 113.336 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -136.32 146.42 46.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.379 . . . . 15.0 110.013 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 m -124.19 113.75 18.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.894 -176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -112.76 132.75 55.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 15.0 110.161 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 64.8 m-85 -93.62 115.56 28.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.21 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -90.05 120.72 31.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.985 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.6 t-20 -90.1 115.56 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -75.55 -5.1 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.831 0.678 . . . . 15.0 112.831 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -82.05 -61.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 15.0 110.258 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.7 m -94.33 -1.19 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.119 -0.492 . . . . 15.0 110.661 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.45 29.34 9.24 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.478 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -91.66 124.58 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.218 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -92.64 109.11 20.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.182 0.515 . . . . 15.0 110.308 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -96.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.136 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.58 -10.01 59.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.449 0.642 . . . . 15.0 109.784 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 140.36 49.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.997 -1.001 . . . . 15.0 109.035 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 57.8 mtpt -68.65 120.34 74.96 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.2 0.445 . . . . 15.0 112.2 -173.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.862 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -66.27 146.33 80.71 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.172 2.581 . . . . 15.0 111.93 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -23.9 65.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.748 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.38 -1.98 58.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.971 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.862 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 53.9 tp -82.34 -30.1 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 15.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.305 -0.855 . . . . 15.0 110.661 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.524 ' HB2' HD13 ' A' ' 463' ' ' LEU . 89.1 m95 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.906 0.384 . . . . 15.0 111.326 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 33.3 m -111.71 115.07 28.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.9 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 2.5 pt-20 -91.05 132.69 35.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.183 0.516 . . . . 15.0 110.639 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -109.14 107.75 18.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.801 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.8 115.79 27.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.502 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.3 p -89.87 149.97 22.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.765 0.316 . . . . 15.0 111.219 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.521 . . . . 15.0 111.564 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.56 -0.28 19.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.711 0.291 . . . . 15.0 111.114 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 41.79 5.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.93 -0.653 . . . . 15.0 113.785 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -133.93 173.92 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.4 m -149.13 113.63 5.3 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.191 -0.204 . . . . 15.0 110.971 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -101.76 125.68 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.357 -0.609 . . . . 15.0 109.357 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.621 ' CZ ' ' HB3' ' A' ' 459' ' ' LYS . 84.8 m-85 -93.37 117.75 30.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.285 -0.87 . . . . 15.0 110.528 -174.112 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -92.14 120.35 32.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.824 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.832 ' HB2' ' HE2' ' A' ' 456' ' ' TYR . 49.2 t-20 -89.95 109.69 20.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.889 -0.782 . . . . 15.0 108.889 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -72.92 -13.49 61.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.627 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.533 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 2.9 mmp_? -89.97 -30.27 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.645 0.239 . . . . 15.0 111.645 -176.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.7 p -118.59 -3.13 10.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.91 0.337 . . . . 15.0 111.91 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.8 mt 65.7 30.08 10.47 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.098 0.475 . . . . 15.0 110.458 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -110.89 131.12 55.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.319 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.4 m -98.48 116.54 30.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.12 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.832 ' HE2' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m-85 -101.93 142.44 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.218 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -90.07 -12.11 39.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.25 0.547 . . . . 15.0 110.404 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.85 134.59 52.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.73 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.621 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 13.4 ptmm? -84.34 131.79 49.4 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 15.0 111.051 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.677 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 35.2 Cg_endo -63.13 152.09 81.44 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.915 2.41 . . . . 15.0 111.624 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -81.56 -18.01 46.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.541 0.571 . . . . 15.0 112.541 -172.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.677 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -85.94 -9.14 57.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.906 -0.497 . . . . 15.0 110.596 178.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 435' ' ' TRP . 47.6 tp -71.23 -29.81 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.16 171.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 15.0 109.807 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.482 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 61.5 m95 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.025 0.441 . . . . 15.0 110.44 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.1 m -108.32 137.75 45.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.326 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.96 127.49 47.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 15.0 110.541 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.1 m-85 -116.72 115.52 25.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.992 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 124.0 46.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.993 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.1 p -90.01 150.46 22.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.101 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.84 -30.29 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.148 0.795 . . . . 15.0 113.148 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -87.94 3.81 47.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.65 0.262 . . . . 15.0 111.415 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 33.24 8.93 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.885 -0.674 . . . . 15.0 114.041 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.618 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 35.6 mtmm -110.51 128.01 55.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.404 0.602 . . . . 15.0 109.801 173.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 3.9 m -118.6 115.58 24.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.878 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -115.52 131.23 57.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.502 . . . . 15.0 110.017 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 455' ' ' SER . 94.8 m-85 -92.17 124.39 36.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -113.5 126.62 55.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.82 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.512 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 47.3 t-20 -118.69 131.58 56.15 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.882 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -83.22 -22.68 33.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.638 0.607 . . . . 15.0 112.638 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.512 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -88.09 -10.83 48.86 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.159 -0.616 . . . . 15.0 110.479 177.026 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.3 m -103.93 -25.23 13.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.904 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.9 mt 64.67 24.35 12.92 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.353 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -132.79 149.95 52.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.578 -170.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 15.7 m -118.06 124.59 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.1 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -116.22 142.29 47.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.618 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 73.4 m95 -88.29 -2.13 58.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.499 0.666 . . . . 15.0 109.685 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.56 149.84 35.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.067 -0.97 . . . . 15.0 109.478 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -74.14 129.87 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 15.0 111.051 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.482 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 71.6 Cg_endo -75.98 151.72 35.54 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.09 2.527 . . . . 15.0 111.969 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -69.34 -5.09 21.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.034 0.445 . . . . 15.0 110.819 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -85.1 -11.77 54.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.326 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.12 -30.39 12.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.941 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.243 0.723 0 CA-C-O 118.793 -0.622 . . . . 15.0 110.135 179.137 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.49 ' HB2' HD13 ' A' ' 463' ' ' LEU . 88.5 m95 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.674 0.273 . . . . 15.0 110.589 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 118.66 36.88 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.047 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.614 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 4.6 pt-20 -90.0 115.4 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 15.0 111.472 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.57 128.26 49.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.374 -0.83 . . . . 15.0 110.906 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -99.31 127.17 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.374 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 80.5 p -89.61 150.49 22.36 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.86 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.75 0.72 52.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.711 0.291 . . . . 15.0 111.505 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 39.97 5.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.927 -0.654 . . . . 15.0 114.124 173.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.582 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 57.8 mttp -112.84 139.76 48.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.644 -0.502 . . . . 15.0 109.644 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -119.51 115.87 24.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.788 -0.187 . . . . 15.0 110.638 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -116.24 132.96 56.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.309 0.576 . . . . 15.0 110.228 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 36.8 m-85 -96.53 114.64 26.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.809 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.67 118.19 36.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.46 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.454 . . . . 15.0 109.954 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -73.95 -17.25 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.939 -173.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 451' ' ' ARG . 2.1 tpm_? -77.76 -33.25 52.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 15.0 110.853 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.0 p -119.94 -2.87 10.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.673 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.1 mt 64.37 22.64 12.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.278 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.88 134.65 34.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.864 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -115.92 113.74 23.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.85 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.24 136.1 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.322 -0.251 . . . . 15.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.582 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 77.0 m95 -80.28 0.81 31.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.137 0.494 . . . . 15.0 110.368 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.06 144.06 50.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 15.0 109.777 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.653 ' HE2' HD23 ' A' ' 463' ' ' LEU . 29.1 ttmt -88.5 126.09 61.27 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.743 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.73 148.12 76.86 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.157 2.571 . . . . 15.0 111.716 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.419 ' O ' ' HE3' ' A' ' 464' ' ' LYS . 61.8 tp60 -75.16 -5.03 42.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.848 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -19.37 22.69 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.71 -0.619 . . . . 15.0 111.395 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.653 HD23 ' HE2' ' A' ' 459' ' ' LYS . 62.3 tp -83.31 -52.42 6.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 15.0 110.351 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 459' ' ' LYS . 80.1 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.692 -0.671 . . . . 15.0 111.045 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.509 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 99.5 m95 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.685 -0.487 . . . . 15.0 109.685 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 35.7 m -130.92 122.83 27.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.58 -0.282 . . . . 15.0 110.832 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 4.0 pt-20 -97.15 131.93 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.582 . . . . 15.0 111.324 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.9 108.18 20.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.186 171.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.42 116.57 28.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.034 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 35.0 p -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.2 -29.85 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 15.0 111.826 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.64 6.05 25.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.855 0.359 . . . . 15.0 111.465 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.36 35.93 7.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.811 -0.709 . . . . 15.0 114.343 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.23 129.03 56.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.132 0.466 . . . . 15.0 110.077 173.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 47.5 m -127.06 120.95 30.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.649 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -127.54 130.59 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.216 0.532 . . . . 15.0 110.413 174.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -89.98 115.53 27.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.89 . . . . 15.0 110.665 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -92.35 123.3 35.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.018 -0.992 . . . . 15.0 110.223 -177.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -89.8 112.45 23.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.798 -0.815 . . . . 15.0 108.798 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -79.78 -9.17 59.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 15.0 111.334 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -90.36 -19.42 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.616 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -129.17 -8.53 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.503 -0.317 . . . . 15.0 111.446 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.5 mt 66.63 26.77 9.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.72 134.96 51.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.568 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.4 m -99.57 123.95 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.557 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.45 128.11 55.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.007 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -77.93 -3.89 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 15.0 110.848 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 136.42 54.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.914 -0.772 . . . . 15.0 108.914 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.68 129.48 85.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.209 0.528 . . . . 15.0 111.362 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.509 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 56.5 Cg_endo -68.45 150.0 75.21 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.07 2.513 . . . . 15.0 112.517 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -68.97 -7.74 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.449 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.69 -11.82 56.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.79 -0.641 . . . . 15.0 110.925 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 435' ' ' TRP . 51.3 tp -117.07 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.395 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.25 -0.881 . . . . 15.0 110.402 -174.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.587 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 55.2 m95 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 53.9 m -115.64 121.65 43.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.643 0.259 . . . . 15.0 110.707 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.672 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.9 pt-20 -97.16 133.52 41.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 15.0 111.743 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.41 135.26 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.665 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 13.2 tppt? -106.03 122.48 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.268 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 82.1 p -89.95 150.27 22.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.441 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.37 -30.19 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 15.0 111.476 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.424 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 0.2 OUTLIER -74.8 -7.05 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.724 178.005 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.74 31.86 14.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.94 -0.648 . . . . 15.0 113.414 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.424 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 47.4 mtmt -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 m -107.25 120.32 41.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.952 -175.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -115.19 127.26 55.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.45 0.643 . . . . 15.0 110.78 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.672 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 84.3 m-85 -94.69 115.08 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.805 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -92.16 119.55 31.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.564 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 18.2 t-20 -102.33 123.16 45.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.273 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.84 -6.86 52.74 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.81 0.694 . . . . 15.0 112.33 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 78.5 ttt180 -88.65 -43.73 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.072 0.463 . . . . 15.0 111.081 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.454 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.9 t -106.84 -5.04 18.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.263 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 29.0 mt 65.93 30.18 9.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.776 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -116.12 149.36 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.438 -173.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.1 m -115.28 116.76 28.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.433 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -105.48 131.56 52.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.834 -0.432 . . . . 15.0 109.834 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -76.6 3.95 10.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.33 0.586 . . . . 15.0 110.691 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -122.21 143.05 49.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.818 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 5.9 mtpm? -61.16 121.26 61.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.08 -0.341 . . . . 15.0 110.08 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.622 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -54.82 134.5 63.35 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.653 2.236 . . . . 15.0 111.419 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.7 -16.66 63.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.337 -175.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 -24.44 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.898 0.38 . . . . 15.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.622 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 63.0 tp -85.09 -30.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.04 -0.981 . . . . 15.0 111.109 173.519 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.469 ' HZ3' ' CD1' ' A' ' 456' ' ' TYR . 84.8 m95 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.794 0.331 . . . . 15.0 111.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 22.4 m -108.81 130.8 55.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 15.0 109.935 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.71 134.21 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.998 0.428 . . . . 15.0 110.755 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.68 110.7 14.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 15.0 110.655 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -94.94 119.21 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.862 . . . . 15.0 109.552 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.6 p -89.97 150.08 22.29 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.98 37.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.512 0.56 . . . . 15.0 112.512 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -83.83 1.62 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 15.0 111.202 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.2 13.92 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.032 -0.604 . . . . 15.0 114.164 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -105.56 133.69 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.8 m -121.62 95.83 4.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.537 -0.301 . . . . 15.0 110.787 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -98.96 138.63 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.484 -0.561 . . . . 15.0 109.484 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 65.6 m-85 -103.16 116.54 32.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.976 -176.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -93.67 118.7 31.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.433 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 50.4 t-20 -89.98 115.43 27.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 176.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -74.74 -17.04 60.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.767 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -89.98 -16.8 29.12 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.437 . . . . 15.0 110.307 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.437 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.2 p -111.68 -16.7 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.861 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.4 mt 66.93 20.62 10.49 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.127 -175.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -105.26 134.9 47.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.692 -0.686 . . . . 15.0 111.79 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 p -93.39 115.1 27.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.776 . . . . 15.0 109.854 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.469 ' CD1' ' HZ3' ' A' ' 435' ' ' TRP . 74.6 m-85 -97.3 112.96 24.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.154 0.502 . . . . 15.0 111.31 -177.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -88.28 1.19 55.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.284 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -123.58 130.65 52.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.742 -1.117 . . . . 15.0 108.143 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.587 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 37.4 mtmm -64.3 119.04 52.76 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 15.0 111.392 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.93 148.92 65.04 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.137 2.558 . . . . 15.0 112.004 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -69.63 -14.13 62.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.187 0.518 . . . . 15.0 110.044 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.17 -20.24 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.118 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 49.2 tp -84.9 -29.8 24.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.84 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.333 -0.842 . . . . 15.0 109.941 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.431 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 74.4 m95 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.887 0.375 . . . . 15.0 110.414 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.3 m -129.95 117.38 20.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.514 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 123.71 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 15.0 111.099 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -104.98 122.13 45.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.809 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.485 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.3 tppp? -105.75 119.96 40.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.183 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 65.5 p -90.54 150.07 21.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.471 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.81 -29.91 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 15.0 111.589 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 444' ' ' LYS . 3.1 p30 -74.94 -6.43 49.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.71 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 39.54 6.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.803 -0.713 . . . . 15.0 113.911 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.48 ' HG3' ' OD1' ' A' ' 442' ' ' ASP . 34.5 mtmm -117.27 146.33 43.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 171.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.485 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 1.8 m -125.68 113.38 17.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.534 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -116.73 124.32 49.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.398 0.618 . . . . 15.0 110.173 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -93.39 114.89 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.572 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.405 ' HD2' ' OD1' ' A' ' 450' ' ' ASN . 35.0 t80 -91.48 128.26 37.25 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.066 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -89.98 105.87 18.1 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.576 -0.898 . . . . 15.0 108.576 175.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.405 ' OD1' ' HD2' ' A' ' 448' ' ' TYR . 81.1 m-20 -74.22 -13.3 60.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.158 -175.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -89.66 -18.89 25.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.037 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.8 m -135.75 -4.5 2.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.72 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.3 mt 68.96 29.78 4.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.031 0.532 . . . . 15.0 111.352 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -107.52 127.09 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.401 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -90.09 123.11 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.598 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -111.71 128.22 56.02 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.061 -0.348 . . . . 15.0 110.061 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -87.43 -0.96 57.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.316 0.579 . . . . 15.0 110.598 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -129.18 134.77 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.308 173.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 32.6 ttmt -67.24 127.89 93.6 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.501 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 18.2 Cg_endo -59.73 133.64 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.45 2.1 . . . . 15.0 110.326 169.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.1 -4.89 23.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.24 0.543 . . . . 15.0 110.746 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.79 -27.31 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.912 172.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.43 -29.99 15.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.39 -0.823 . . . . 15.0 110.93 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.388 -0.815 . . . . 15.0 111.552 179.252 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 97.3 m95 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.427 -0.582 . . . . 15.0 109.427 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.1 m -90.04 115.66 27.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.908 0.385 . . . . 15.0 110.36 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.79 125.9 35.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.426 . . . . 15.0 111.308 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -110.68 118.1 35.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.059 -0.519 . . . . 15.0 109.961 173.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -105.85 117.18 33.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.893 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.9 p -94.81 150.04 20.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.229 -0.286 . . . . 15.0 110.229 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.35 -29.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.69 -5.89 43.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.617 . . . . 15.0 111.805 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 29.91 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.003 -0.618 . . . . 15.0 113.811 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -109.82 110.8 21.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.171 0.485 . . . . 15.0 109.742 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.9 m -108.56 99.27 8.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.51 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -97.76 126.14 42.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.313 0.578 . . . . 15.0 110.512 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -95.26 118.47 32.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.851 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.89 122.09 37.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 26.5 t-20 -89.98 115.67 27.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 0.57 43.52 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.985 0.365 . . . . 15.0 111.985 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 7.8 mmp_? -89.34 -34.64 16.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.831 0.348 . . . . 15.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -117.68 -3.45 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.107 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 91.6 mt 66.69 26.66 9.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -95.79 133.32 40.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.183 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.6 t -100.66 119.05 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.046 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -110.95 119.3 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.778 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -82.16 1.79 34.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.283 0.563 . . . . 15.0 110.482 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.87 150.0 45.49 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.478 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -59.71 130.87 88.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.1 Cg_endo -64.26 158.62 47.64 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.004 2.47 . . . . 15.0 111.609 173.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.06 -22.22 66.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.994 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.42 -5.35 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 15.0 111.359 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 27.5 tp -95.59 -29.78 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.148 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.442 ' NZ ' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.888 0 O-C-N 123.889 0.743 . . . . 15.0 111.088 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.5 m95 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.875 -0.417 . . . . 15.0 109.875 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.8 m -118.16 110.81 18.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.044 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -92.12 126.45 37.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.288 0.566 . . . . 15.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.78 124.61 49.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.48 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -94.55 117.81 30.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.126 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.8 p -89.98 150.1 22.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.915 0.388 . . . . 15.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.29 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.125 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.36 2.03 38.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.586 0.232 . . . . 15.0 111.34 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.46 4.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.769 -0.729 . . . . 15.0 113.732 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -126.23 143.71 51.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.933 0.396 . . . . 15.0 109.968 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.0 m -127.95 97.1 4.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -98.18 132.41 43.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.349 0.595 . . . . 15.0 110.707 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -91.71 115.36 27.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -104.54 119.14 38.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.994 0.426 . . . . 15.0 110.277 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 27.0 t-20 -94.09 118.44 31.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.265 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -86.82 -2.24 58.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.071 0.463 . . . . 15.0 111.183 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.466 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 45.8 ttp180 -81.37 -38.21 26.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.589 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.2 p -120.66 -2.07 9.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.3 mt 69.81 26.22 4.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.25 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -95.72 130.55 42.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.548 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -99.62 124.61 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 15.0 110.735 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -119.79 128.04 53.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.444 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -85.71 -18.72 32.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.353 -0.61 . . . . 15.0 109.353 172.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -93.77 149.7 21.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.925 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -72.6 121.8 85.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.31 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.26 131.51 32.51 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.67 2.246 . . . . 15.0 111.681 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -83.12 -7.11 59.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 15.0 110.537 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -80.18 -4.48 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 15.0 110.172 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.9 tp -87.31 -30.07 21.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.123 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm . . . . . 0 C--O 1.253 1.259 0 CA-C-N 115.327 -0.851 . . . . 15.0 111.371 179.207 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 97.5 m95 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.653 0.263 . . . . 15.0 110.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.5 m -124.67 118.69 27.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.465 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -89.99 125.48 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.545 0.688 . . . . 15.0 111.976 -177.464 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.86 119.02 38.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.317 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -111.43 120.59 42.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.233 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 78.5 p -95.2 150.1 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 15.0 111.037 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.86 68.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.577 -0.738 . . . . 15.0 112.333 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.01 -0.36 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.269 . . . . 15.0 111.225 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 53.88 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 15.0 113.586 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.451 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 53.1 mttp -126.67 129.64 48.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 172.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.4 m -122.99 114.84 20.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.952 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -133.3 127.7 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.495 0.664 . . . . 15.0 110.605 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 94.0 m-85 -90.48 115.38 27.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.002 -0.999 . . . . 15.0 110.351 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -90.06 119.44 30.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.826 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -90.02 114.81 26.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.09 -12.56 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.943 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -83.61 -38.49 21.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 15.0 110.756 -176.032 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -110.94 -5.13 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.265 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.3 mt 67.36 22.2 9.55 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.641 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HA ' ' OE1' ' A' ' 454' ' ' GLU . 6.8 mm-40 -101.33 138.33 38.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.422 -173.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.2 m -100.95 115.46 30.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.811 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.79 119.26 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.256 -0.429 . . . . 15.0 109.934 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -76.61 -10.1 59.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.357 0.598 . . . . 15.0 110.117 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 132.57 54.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.28 -0.873 . . . . 15.0 108.904 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.4 ptpp? -77.4 130.44 74.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.042 0.449 . . . . 15.0 110.717 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.55 146.54 55.58 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.625 2.216 . . . . 15.0 111.6 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -70.35 -7.15 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 15.0 109.91 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.15 -20.28 60.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.336 -0.847 . . . . 15.0 109.966 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.23 -45.16 5.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.739 -0.664 . . . . 15.0 110.154 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.928 0.767 . . . . 15.0 111.543 176.21 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.073 -0.714 . . . . 15.0 109.073 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.37 114.61 28.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.495 -0.32 . . . . 15.0 110.314 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.77 132.64 37.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 15.0 110.676 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -111.86 128.24 56.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.485 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.605 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -105.34 123.61 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.597 -174.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 36.2 p -90.06 150.21 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 15.0 109.097 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.92 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 -2.37 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 15.0 111.434 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 37.9 6.57 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.948 -0.644 . . . . 15.0 113.763 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.442 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 49.5 mttp -105.04 131.29 52.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 171.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.0 m -124.42 108.41 12.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.824 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -103.99 129.44 51.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.197 0.522 . . . . 15.0 109.646 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.64 116.85 28.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.608 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -98.81 119.85 38.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 15.0 110.125 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 24.9 t-20 -90.05 113.19 24.85 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.082 -0.71 . . . . 15.0 109.082 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.18 -7.08 54.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 15.0 112.073 -172.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.429 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 53.1 ttp180 -78.78 -53.88 6.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.871 0.367 . . . . 15.0 110.491 178.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 m -102.18 -5.06 24.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.114 -176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.3 mt 68.01 29.94 6.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.213 0.53 . . . . 15.0 110.661 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.38 137.42 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 15.0 111.418 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.0 t -104.59 115.69 30.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 15.0 110.058 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -107.68 115.99 31.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.856 0.36 . . . . 15.0 111.271 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -84.62 4.33 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 15.0 110.62 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -148.9 146.23 27.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.413 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 459' ' ' LYS . 33.3 ttmt -69.32 121.58 82.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 113.045 0.757 . . . . 15.0 113.045 -170.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -80.71 155.25 20.75 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.353 2.702 . . . . 15.0 111.625 171.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -71.77 -14.13 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 15.0 110.805 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.27 -20.44 61.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.263 0.554 . . . . 15.0 109.733 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.5 tp -94.87 -66.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.631 -0.713 . . . . 15.0 110.392 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.6 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.4 -0.809 . . . . 15.0 111.081 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.452 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.6 m95 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.836 0.35 . . . . 15.0 110.457 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -126.22 125.66 42.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.457 . . . . 15.0 110.461 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.768 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.3 pt-20 -100.97 128.85 46.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 15.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.72 117.67 34.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.991 0.424 . . . . 15.0 110.832 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 121.56 33.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.108 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.1 p -89.97 150.22 22.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.76 64.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.981 0.419 . . . . 15.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.25 -5.6 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.947 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 37.46 6.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.929 -0.653 . . . . 15.0 113.682 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -126.43 128.38 46.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.746 -0.464 . . . . 15.0 109.746 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.0 m -115.26 125.63 53.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.875 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -120.49 131.84 54.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.523 0.678 . . . . 15.0 110.545 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.768 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 65.6 m-85 -90.5 124.81 35.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.248 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -104.31 115.96 31.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.161 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 24.1 t-20 -98.99 117.64 33.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.749 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -73.95 -31.78 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 15.0 111.442 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 6.1 tpm_? -64.04 -38.67 91.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.194 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 m -121.79 0.97 9.9 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.981 -0.287 . . . . 15.0 111.145 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.6 mt 63.81 26.21 14.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.067 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -95.98 144.61 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.934 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.639 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 t -123.34 131.95 53.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.57 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -125.65 130.97 52.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -79.83 5.15 14.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.242 0.544 . . . . 15.0 110.655 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -127.18 143.65 51.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.212 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 125.22 91.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.444 . . . . 15.0 111.051 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.91 142.22 87.44 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.652 2.234 . . . . 15.0 111.058 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.01 -22.66 67.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.898 0.38 . . . . 15.0 110.044 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -63.87 -15.01 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.916 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.0 tp -94.93 -29.68 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.297 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 8.1 tmtm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.253 -0.88 . . . . 15.0 110.099 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.453 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 87.7 m95 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.0 m -92.02 119.6 31.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.014 0.435 . . . . 15.0 110.564 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.455 ' HG2' ' H ' ' A' ' 437' ' ' GLU . 6.7 pt-20 -89.94 112.23 23.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 15.0 110.61 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 445' ' ' THR . 56.3 m-85 -103.48 121.92 43.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.643 -177.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 117.83 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.485 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.5 p -89.96 150.35 22.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.268 -0.423 . . . . 15.0 110.567 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.95 -29.95 63.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.966 0.413 . . . . 15.0 111.313 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -3.93 39.41 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.781 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.88 30.09 13.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.013 -0.613 . . . . 15.0 113.868 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 53.3 mtpt -111.05 125.58 53.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.391 -0.476 . . . . 15.0 109.974 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 24.7 m -117.16 125.2 50.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.451 -0.34 . . . . 15.0 111.222 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 36.0 p90 -140.09 150.05 43.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.404 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -104.28 121.6 43.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.426 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -101.01 120.03 39.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.332 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -90.02 116.29 27.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.287 -0.634 . . . . 15.0 109.287 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -82.94 -11.11 58.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 15.0 111.241 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 451' ' ' ARG . 1.3 tpm_? -84.23 -31.32 25.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.306 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.4 p -116.8 -10.03 11.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.329 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.9 mt 68.38 26.78 6.62 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.213 0.605 . . . . 15.0 110.941 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -107.08 140.23 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.313 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.2 m -108.32 119.76 40.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.854 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.6 133.06 56.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.554 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.55 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 82.8 m95 -88.99 -11.53 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.233 0.54 . . . . 15.0 110.155 175.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -109.34 140.81 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.16 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -60.23 122.15 64.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.147 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.721 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 40.4 Cg_endo -67.51 150.79 80.34 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.641 2.228 . . . . 15.0 111.55 175.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -68.9 -9.55 52.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.539 . . . . 15.0 110.58 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.85 -6.97 53.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 15.0 109.969 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.721 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 29.2 tp -94.01 -30.06 14.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.846 -175.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.813 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.627 -0.702 . . . . 15.0 110.564 -177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.019 -0.432 . . . . 15.0 112.019 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 70.22 14.29 7.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.949 0.5 . . . . 15.0 111.293 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.2 t -160.66 177.28 10.64 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.063 -0.717 . . . . 15.0 109.063 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.19 35.12 15.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.155 0.503 . . . . 15.0 110.779 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.9 t -74.04 82.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.498 0.666 . . . . 15.0 109.969 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 32.5 t -165.91 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.285 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.495 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 -78.73 -19.29 52.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.388 -0.823 . . . . 15.0 110.732 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.521 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 95.4 m95 -102.42 106.07 16.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.709 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.6 m -106.6 131.46 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.881 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.13 121.67 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 15.0 110.542 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -108.31 121.98 46.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.963 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.614 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.1 tppp? -104.63 124.15 48.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.593 -177.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.4 p -90.06 150.14 22.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.231 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.78 -30.06 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -85.33 1.64 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 15.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.29 50.84 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.874 -0.679 . . . . 15.0 113.723 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -125.99 131.53 52.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.973 -0.38 . . . . 15.0 109.973 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.614 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 9.7 m -111.48 125.49 53.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.096 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -138.1 140.99 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 15.0 110.114 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -97.05 120.62 37.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.479 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -99.3 117.64 34.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 15.0 109.444 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.495 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 25.7 t-20 -105.32 115.07 29.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.168 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.69 -27.04 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.064 0.459 . . . . 15.0 110.328 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 55.2 ttp180 -53.64 -47.6 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.512 -0.767 . . . . 15.0 111.136 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.85 -8.56 14.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.118 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 82.4 mt 67.42 24.78 8.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.721 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -102.05 136.0 42.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.737 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.9 m -108.91 122.22 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.577 . . . . 15.0 110.163 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.96 129.5 55.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.394 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -86.19 0.43 53.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.512 . . . . 15.0 110.329 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.88 150.07 51.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.262 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' A' ' 459' ' ' LYS . 31.0 mttp -60.07 126.97 85.15 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.569 -0.741 . . . . 15.0 111.873 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.521 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 44.1 Cg_endo -67.04 147.86 80.56 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.021 2.48 . . . . 15.0 111.403 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -67.71 -12.65 60.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 15.0 110.842 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.543 ' HA ' ' HA3' ' A' ' 428' ' ' GLY . 53.3 mt-10 -68.29 -23.49 64.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.61 174.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 57.4 tp -90.35 -47.4 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.73 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.602 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.175 0 O-C-N 123.81 0.694 . . . . 15.0 109.852 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.477 -0.649 . . . . 15.0 111.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.58 81.16 4.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.021 0.438 . . . . 15.0 111.388 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.3 p -126.52 13.24 7.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.798 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -126.59 149.66 49.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.59 . . . . 15.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.69 -37.58 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.695 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.6 t -100.67 178.56 4.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.016 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.804 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 15.4 mm-40 -94.78 94.63 8.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.321 . . . . 15.0 110.727 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.463 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.7 m95 -131.62 111.14 11.45 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.372 0.606 . . . . 15.0 110.801 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 79.4 m -108.44 128.64 54.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.482 -0.781 . . . . 15.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.8 140.44 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -121.85 112.85 18.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 15.0 110.096 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.611 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -89.86 115.11 26.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.151 -0.931 . . . . 15.0 110.495 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.7 p -94.07 150.29 20.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.358 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.18 -29.78 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 15.0 111.189 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.28 0.63 15.98 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.484 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.62 30.15 33.66 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.093 -0.575 . . . . 15.0 113.57 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -118.82 106.78 12.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.302 0.572 . . . . 15.0 110.831 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.8 m -92.16 104.53 16.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.369 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -100.36 135.77 41.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.513 -0.551 . . . . 15.0 109.513 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -98.62 116.14 30.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.602 -0.727 . . . . 15.0 109.874 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -99.79 125.51 45.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.223 -176.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 44.9 t-20 -89.81 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.04 -14.77 59.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.463 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.804 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 14.8 ttm180 -88.08 -34.94 17.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.896 0.379 . . . . 15.0 110.522 -175.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 66.1 p -112.15 -2.31 15.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.367 -0.379 . . . . 15.0 111.359 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.2 mt 63.9 26.87 14.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.883 -0.599 . . . . 15.0 111.134 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -100.17 128.65 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.008 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.6 t -97.87 119.57 36.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.19 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -114.96 125.62 53.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.393 -0.367 . . . . 15.0 111.079 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -86.38 -2.45 58.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.192 0.52 . . . . 15.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 149.93 48.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.614 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -59.99 126.0 82.37 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.289 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.519 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 73.4 Cg_endo -76.03 147.11 29.84 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.821 2.347 . . . . 15.0 111.977 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.5 -15.16 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.775 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.47 -20.33 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.826 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.519 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 47.0 tp -82.53 -30.09 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.945 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.78 -0.629 . . . . 15.0 110.305 -176.912 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.565 -0.614 . . . . 15.0 111.565 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -72.23 144.56 48.41 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.339 -0.245 . . . . 15.0 110.339 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.5 p -82.62 24.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.023 0.379 . . . . 15.0 112.023 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.37 93.32 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.8 t -84.38 77.8 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.523 0.677 . . . . 15.0 111.47 -172.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.8 m -104.9 3.04 30.47 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.471 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.598 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 5.5 mm-40 -79.65 -21.75 44.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.967 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 82.3 m95 -111.39 116.0 30.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.74 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -121.03 116.17 24.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.595 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.98 124.97 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.988 0.423 . . . . 15.0 110.76 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -109.22 114.47 28.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.237 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 124.32 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.9 p -89.85 150.15 22.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.193 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.89 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.94 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -84.43 4.65 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.574 -0.284 . . . . 15.0 111.496 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.69 43.77 5.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 15.0 113.912 170.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -130.8 129.2 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.2 m -119.06 113.39 20.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.712 0.291 . . . . 15.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -102.02 129.16 48.26 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.05 114.8 26.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.928 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -99.03 120.47 39.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.473 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.605 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 22.4 t-20 -89.93 112.0 23.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.25 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -76.34 -4.74 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.687 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.598 ' HD2' ' OE2' ' A' ' 434' ' ' GLU . 1.7 tpm_? -84.96 -38.84 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.929 0.395 . . . . 15.0 110.64 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.6 m -122.84 1.35 9.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.709 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 62.5 mt 65.64 30.15 10.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.273 0.558 . . . . 15.0 110.878 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -93.8 138.71 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.978 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.3 t -111.56 117.81 34.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.383 . . . . 15.0 110.47 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.89 138.86 47.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 15.0 109.981 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -87.35 -2.73 58.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.122 0.487 . . . . 15.0 110.511 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -116.07 142.21 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.574 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.41 122.25 87.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.794 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.692 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 33.7 Cg_endo -61.83 147.14 95.89 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.068 2.512 . . . . 15.0 111.447 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -88.27 -8.11 55.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -170.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.692 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -87.98 -10.99 48.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 15.0 110.152 175.682 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.4 -29.86 33.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.716 171.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 10.3 ptmm? . . . . . 0 C--O 1.253 1.244 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.902 -0.479 . . . . 15.0 111.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -158.27 142.0 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.671 0.272 . . . . 15.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.3 t -102.49 156.78 17.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 15.0 109.527 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 69.95 165.58 0.27 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.336 0.654 . . . . 15.0 111.063 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.604 ' HA ' HD13 ' A' ' 463' ' ' LEU . 94.2 t 68.79 -66.95 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.996 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.0 t -82.39 -11.95 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 15.0 111.369 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -95.35 -0.94 52.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 15.0 111.13 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.409 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.9 m95 -98.67 107.66 20.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.009 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.9 m -93.72 111.24 22.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.475 -0.33 . . . . 15.0 110.138 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -89.91 138.05 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.517 -178.299 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -115.2 116.13 27.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.552 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.12 112.95 25.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.25 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.8 p -89.83 150.11 22.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.693 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.36 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.782 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.23 -2.47 31.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 15.0 111.774 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 31.92 10.15 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.891 -0.671 . . . . 15.0 113.803 173.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.411 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.3 mttm -108.95 135.39 50.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.996 0.398 . . . . 15.0 110.103 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -117.87 96.36 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -100.61 136.33 40.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 15.0 110.085 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -104.11 126.59 51.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.581 -0.736 . . . . 15.0 111.149 -172.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -106.74 123.92 48.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.836 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.2 t-20 -91.82 114.92 27.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.476 -0.564 . . . . 15.0 109.476 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -75.1 -15.52 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 15.0 112.352 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 451' ' ' ARG . 44.3 ttm105 -89.99 -43.19 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.379 . . . . 15.0 111.018 -177.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.0 m -89.32 -13.37 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.446 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.4 mt 68.77 30.06 4.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.866 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -109.64 133.1 53.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.243 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 p -104.77 121.0 42.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.674 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.39 125.57 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.593 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.92 5.34 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.239 0.542 . . . . 15.0 110.065 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.96 146.92 48.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.184 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.97 118.12 70.21 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 15.0 111.518 -174.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 145.94 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.145 2.563 . . . . 15.0 112.57 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -78.03 -8.67 58.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.395 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.91 14.14 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.979 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.604 HD13 ' HA ' ' A' ' 432' ' ' VAL . 58.0 tp -143.55 -53.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.031 -0.985 . . . . 15.0 109.989 -177.845 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.576 -0.61 . . . . 15.0 111.576 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.76 123.67 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 15.0 111.31 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.9 p -91.71 103.09 15.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.292 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -62.61 124.8 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.044 0.45 . . . . 15.0 111.75 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.37 2.94 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.914 0.864 . . . . 15.0 109.451 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.1 m -77.72 82.89 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.155 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.602 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.3 tp10 -94.71 -5.28 45.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.845 0.831 . . . . 15.0 109.276 173.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -98.54 113.78 25.94 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.048 -0.978 . . . . 15.0 110.088 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 30.6 m -104.39 116.86 32.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.024 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.85 132.34 35.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -107.54 111.48 23.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.93 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.408 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -97.14 122.51 40.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.951 -1.022 . . . . 15.0 110.47 -177.34 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.2 p -89.83 150.4 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.05 62.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.116 0.484 . . . . 15.0 110.98 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.11 0.75 23.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.658 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.52 29.94 20.26 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.971 -0.633 . . . . 15.0 114.254 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -106.88 132.14 53.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.425 0.612 . . . . 15.0 109.446 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 m -124.82 110.66 14.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 15.0 111.299 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.25 126.94 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.74 115.86 28.41 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.525 -0.762 . . . . 15.0 110.359 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -105.61 118.13 35.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.337 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 26.7 t-20 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 15.0 109.381 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.88 -12.43 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.781 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.602 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 37.7 ttp180 -74.66 -50.82 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 15.0 110.965 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 11.09 13.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.941 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.3 mt 63.13 30.1 16.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.086 -0.506 . . . . 15.0 111.868 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -90.03 132.33 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.953 -175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -107.08 118.0 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.111 0.481 . . . . 15.0 110.718 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -116.31 127.79 55.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.615 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -87.42 -19.46 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.235 0.541 . . . . 15.0 110.478 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -111.21 145.57 38.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.776 -0.647 . . . . 15.0 109.657 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -64.52 116.79 31.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.369 -0.832 . . . . 15.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.436 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -74.05 152.28 45.67 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.664 2.243 . . . . 15.0 111.85 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.25 -17.54 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.159 0.504 . . . . 15.0 110.467 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -72.97 -17.56 61.46 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.222 0.534 . . . . 15.0 110.198 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.436 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 66.4 tp -87.96 -29.84 20.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.394 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.34 -0.838 . . . . 15.0 110.483 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.939 -0.464 . . . . 15.0 111.939 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.57 -10.93 35.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 15.0 110.73 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.8 m -64.25 113.93 3.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.513 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -105.69 135.19 47.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.092 -0.336 . . . . 15.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.67 HG23 ' HG2' ' A' ' 434' ' ' GLU . 4.4 p -67.39 114.1 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.314 0.578 . . . . 15.0 110.882 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.8 p -126.79 15.82 7.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.487 0.66 . . . . 15.0 109.529 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.67 ' HG2' HG23 ' A' ' 432' ' ' VAL . 0.6 OUTLIER -68.33 -18.18 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.555 -178.044 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -90.11 118.91 30.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.724 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.3 m -123.19 126.99 48.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.461 -0.336 . . . . 15.0 110.727 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 9.9 pt-20 -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.293 0.568 . . . . 15.0 110.761 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -93.29 121.4 34.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.558 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -105.14 118.64 37.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.188 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.491 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 79.7 p -98.16 150.08 21.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.663 0.268 . . . . 15.0 110.682 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.96 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.043 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -79.86 0.4 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.5 -0.318 . . . . 15.0 110.976 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 61.32 1.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.871 -0.681 . . . . 15.0 113.494 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.491 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 55.6 mttp -134.07 143.83 48.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.044 0.45 . . . . 15.0 110.404 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -130.2 104.6 7.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.429 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 40.2 p90 -117.4 128.38 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.276 0.56 . . . . 15.0 110.451 176.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.625 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 73.8 m-85 -89.88 112.0 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.304 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -109.41 116.17 31.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.289 -0.869 . . . . 15.0 110.132 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 47.5 t-20 -90.31 114.99 27.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.083 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.89 -16.56 62.7 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.537 0.523 . . . . 15.0 111.656 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -89.77 -39.4 13.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.978 -174.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 30.0 p -102.89 -5.1 23.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.53 -0.304 . . . . 15.0 111.187 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 26.2 mt 65.76 24.32 11.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.705 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -99.82 129.55 45.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.425 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.34 114.93 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.435 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -124.21 126.71 46.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.279 -0.267 . . . . 15.0 110.279 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 83.0 m95 -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.108 0.48 . . . . 15.0 110.343 176.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.41 142.13 36.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.896 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 58.9 mttp -60.15 120.13 48.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 123.212 0.32 . . . . 15.0 110.893 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 37.4 Cg_endo -66.7 148.1 82.46 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.648 2.232 . . . . 15.0 111.431 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -67.65 -12.14 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.178 0.513 . . . . 15.0 110.486 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.33 -28.4 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.145 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 59.7 tp -95.58 -44.52 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.9 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 463' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 O-C-N 124.705 1.253 . . . . 15.0 112.397 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.772 -0.531 . . . . 15.0 111.772 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.25 84.42 7.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.078 0.466 . . . . 15.0 110.814 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.4 t -71.94 -16.64 62.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 15.0 110.184 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -113.13 103.8 11.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.759 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.19 89.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 15.0 110.65 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -141.47 -31.29 0.58 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.478 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.48 -9.23 58.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.044 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.3 m95 -89.86 107.33 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 176.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 m -116.14 120.19 38.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.589 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.664 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.0 pt-20 -91.67 136.14 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.099 0.476 . . . . 15.0 111.232 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -120.6 124.86 46.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.638 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.5 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -91.25 121.29 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.194 -178.532 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.96 150.21 22.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.718 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.35 -29.92 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.6 0.592 . . . . 15.0 112.6 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -82.99 5.42 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 15.0 111.25 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.36 51.19 3.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.061 -0.59 . . . . 15.0 113.336 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -136.32 146.42 46.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.379 . . . . 15.0 110.013 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 m -124.19 113.75 18.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.894 -176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -112.76 132.75 55.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 15.0 110.161 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 64.8 m-85 -93.62 115.56 28.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.21 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -90.05 120.72 31.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.985 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.6 t-20 -90.1 115.56 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -75.55 -5.1 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.831 0.678 . . . . 15.0 112.831 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -82.05 -61.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 15.0 110.258 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.7 m -94.33 -1.19 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.119 -0.492 . . . . 15.0 110.661 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.45 29.34 9.24 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.478 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -91.66 124.58 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.218 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -92.64 109.11 20.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.182 0.515 . . . . 15.0 110.308 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -96.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.136 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.58 -10.01 59.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.449 0.642 . . . . 15.0 109.784 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 140.36 49.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.997 -1.001 . . . . 15.0 109.035 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 57.8 mtpt -68.65 120.34 74.96 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.2 0.445 . . . . 15.0 112.2 -173.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.862 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -66.27 146.33 80.71 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.172 2.581 . . . . 15.0 111.93 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -23.9 65.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.748 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.38 -1.98 58.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.971 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.862 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 53.9 tp -82.34 -30.1 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 15.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.305 -0.855 . . . . 15.0 110.661 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.316 -0.314 . . . . 15.0 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.92 105.53 17.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 15.0 110.238 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.3 t -102.13 -4.58 25.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.713 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.41 110.48 0.05 OUTLIER 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.902 0.751 . . . . 15.0 111.369 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.4 m -83.0 91.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.842 0.829 . . . . 15.0 110.946 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.9 t -101.05 14.76 30.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.497 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.436 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 9.6 mm-40 -76.67 -3.41 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.354 -0.839 . . . . 15.0 110.839 -175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.524 ' HB2' HD13 ' A' ' 463' ' ' LEU . 89.1 m95 -98.65 119.12 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.326 -175.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 33.3 m -111.71 115.07 28.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.9 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 2.5 pt-20 -91.05 132.69 35.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.183 0.516 . . . . 15.0 110.639 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -109.14 107.75 18.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.801 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.8 115.79 27.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.502 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.3 p -89.87 149.97 22.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.765 0.316 . . . . 15.0 111.219 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.521 . . . . 15.0 111.564 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.56 -0.28 19.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.711 0.291 . . . . 15.0 111.114 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 41.79 5.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.93 -0.653 . . . . 15.0 113.785 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -133.93 173.92 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.4 m -149.13 113.63 5.3 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.191 -0.204 . . . . 15.0 110.971 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -101.76 125.68 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.357 -0.609 . . . . 15.0 109.357 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.621 ' CZ ' ' HB3' ' A' ' 459' ' ' LYS . 84.8 m-85 -93.37 117.75 30.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.285 -0.87 . . . . 15.0 110.528 -174.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -92.14 120.35 32.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.824 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.832 ' HB2' ' HE2' ' A' ' 456' ' ' TYR . 49.2 t-20 -89.95 109.69 20.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.889 -0.782 . . . . 15.0 108.889 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -72.92 -13.49 61.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.627 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.533 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 2.9 mmp_? -89.97 -30.27 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.645 0.239 . . . . 15.0 111.645 -176.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.7 p -118.59 -3.13 10.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.91 0.337 . . . . 15.0 111.91 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.8 mt 65.7 30.08 10.47 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.098 0.475 . . . . 15.0 110.458 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -110.89 131.12 55.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.319 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.4 m -98.48 116.54 30.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.12 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.832 ' HE2' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m-85 -101.93 142.44 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.218 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -90.07 -12.11 39.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.25 0.547 . . . . 15.0 110.404 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.85 134.59 52.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.73 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.621 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 13.4 ptmm? -84.34 131.79 49.4 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 15.0 111.051 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.677 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 35.2 Cg_endo -63.13 152.09 81.44 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.915 2.41 . . . . 15.0 111.624 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -81.56 -18.01 46.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.541 0.571 . . . . 15.0 112.541 -172.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.677 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -85.94 -9.14 57.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.906 -0.497 . . . . 15.0 110.596 178.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 435' ' ' TRP . 47.6 tp -71.23 -29.81 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.16 171.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 15.0 109.807 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 461' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.254 -0.338 . . . . 15.0 112.254 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -165.31 172.27 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.6 p -75.15 -70.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 15.0 110.616 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -168.26 92.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.067 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.527 HG22 ' H ' ' A' ' 434' ' ' GLU . 10.3 p -72.73 135.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.773 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -68.37 -1.25 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.373 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.533 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 36.5 mt-10 -89.77 -11.0 43.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.755 0.312 . . . . 15.0 111.182 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.482 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 61.5 m95 -108.27 110.19 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.025 0.441 . . . . 15.0 110.44 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.1 m -108.32 137.75 45.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.326 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.96 127.49 47.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 15.0 110.541 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.1 m-85 -116.72 115.52 25.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.992 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 124.0 46.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.993 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.1 p -90.01 150.46 22.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.101 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.84 -30.29 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.148 0.795 . . . . 15.0 113.148 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -87.94 3.81 47.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.65 0.262 . . . . 15.0 111.415 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 33.24 8.93 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.885 -0.674 . . . . 15.0 114.041 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.618 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 35.6 mtmm -110.51 128.01 55.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.404 0.602 . . . . 15.0 109.801 173.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 3.9 m -118.6 115.58 24.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.878 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -115.52 131.23 57.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.502 . . . . 15.0 110.017 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 455' ' ' SER . 94.8 m-85 -92.17 124.39 36.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -113.5 126.62 55.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.82 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 47.3 t-20 -118.69 131.58 56.15 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.882 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -83.22 -22.68 33.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.638 0.607 . . . . 15.0 112.638 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.512 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -88.09 -10.83 48.86 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.159 -0.616 . . . . 15.0 110.479 177.026 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.3 m -103.93 -25.23 13.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.904 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.9 mt 64.67 24.35 12.92 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.353 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -132.79 149.95 52.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.578 -170.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 15.7 m -118.06 124.59 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.1 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -116.22 142.29 47.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.618 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 73.4 m95 -88.29 -2.13 58.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.499 0.666 . . . . 15.0 109.685 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.56 149.84 35.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.067 -0.97 . . . . 15.0 109.478 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -74.14 129.87 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 15.0 111.051 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.482 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 71.6 Cg_endo -75.98 151.72 35.54 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.09 2.527 . . . . 15.0 111.969 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.465 ' O ' ' HA3' ' A' ' 428' ' ' GLY . 47.7 tp60 -69.34 -5.09 21.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.034 0.445 . . . . 15.0 110.819 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -85.1 -11.77 54.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.326 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.12 -30.39 12.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.941 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.243 0.723 0 CA-C-O 118.793 -0.622 . . . . 15.0 110.135 179.137 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.974 -0.45 . . . . 15.0 111.974 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -93.34 -57.03 2.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 117.024 0.412 . . . . 15.0 110.343 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 89.9 m 70.48 -59.53 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.529 0.518 . . . . 15.0 112.252 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -78.99 104.39 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.0 0.428 . . . . 15.0 111.313 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.7 m -133.0 123.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.973 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 65.9 m 59.17 74.83 0.43 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.617 0.722 . . . . 15.0 110.428 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 2.0 mp0 -90.24 98.46 11.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.382 -178.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.49 ' HB2' HD13 ' A' ' 463' ' ' LEU . 88.5 m95 -127.84 117.18 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.589 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 118.66 36.88 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.047 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.614 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 4.6 pt-20 -90.0 115.4 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 15.0 111.472 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.57 128.26 49.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.374 -0.83 . . . . 15.0 110.906 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -99.31 127.17 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.374 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 80.5 p -89.61 150.49 22.36 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.86 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.75 0.72 52.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.711 0.291 . . . . 15.0 111.505 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 39.97 5.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.927 -0.654 . . . . 15.0 114.124 173.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.582 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 57.8 mttp -112.84 139.76 48.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.644 -0.502 . . . . 15.0 109.644 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -119.51 115.87 24.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.788 -0.187 . . . . 15.0 110.638 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -116.24 132.96 56.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.309 0.576 . . . . 15.0 110.228 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 36.8 m-85 -96.53 114.64 26.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.809 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.67 118.19 36.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.46 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.9 t-20 -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.454 . . . . 15.0 109.954 176.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -73.95 -17.25 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.939 -173.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.483 ' HD2' ' OE2' ' A' ' 434' ' ' GLU . 2.1 tpm_? -77.76 -33.25 52.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 15.0 110.853 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.0 p -119.94 -2.87 10.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.673 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.1 mt 64.37 22.64 12.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.278 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.88 134.65 34.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.864 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -115.92 113.74 23.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.85 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.24 136.1 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.322 -0.251 . . . . 15.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.582 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 77.0 m95 -80.28 0.81 31.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.137 0.494 . . . . 15.0 110.368 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.06 144.06 50.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 15.0 109.777 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.653 ' HE2' HD23 ' A' ' 463' ' ' LEU . 29.1 ttmt -88.5 126.09 61.27 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.743 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.73 148.12 76.86 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.157 2.571 . . . . 15.0 111.716 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.419 ' O ' ' HE3' ' A' ' 464' ' ' LYS . 61.8 tp60 -75.16 -5.03 42.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.848 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -19.37 22.69 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.71 -0.619 . . . . 15.0 111.395 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.653 HD23 ' HE2' ' A' ' 459' ' ' LYS . 62.3 tp -83.31 -52.42 6.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 15.0 110.351 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 459' ' ' LYS . 80.1 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.692 -0.671 . . . . 15.0 111.045 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 112.14 -0.384 . . . . 15.0 112.14 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -98.94 82.27 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 15.0 110.407 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.0 t -172.02 159.01 4.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.419 -0.809 . . . . 15.0 109.651 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -78.96 -17.92 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 15.0 110.765 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.21 -36.62 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.835 -0.621 . . . . 15.0 111.18 -178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.9 p -79.62 -3.65 48.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.573 -0.285 . . . . 15.0 111.691 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.94 -3.54 55.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.172 0.51 . . . . 15.0 110.373 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.509 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 99.5 m95 -105.56 121.03 43.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.685 175.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 35.7 m -130.92 122.83 27.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.58 -0.282 . . . . 15.0 110.832 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 4.0 pt-20 -97.15 131.93 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.582 . . . . 15.0 111.324 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.9 108.18 20.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.186 171.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.42 116.57 28.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.034 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 35.0 p -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.2 -29.85 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 15.0 111.826 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.64 6.05 25.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.855 0.359 . . . . 15.0 111.465 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.36 35.93 7.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.811 -0.709 . . . . 15.0 114.343 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.23 129.03 56.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.132 0.466 . . . . 15.0 110.077 173.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 47.5 m -127.06 120.95 30.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.649 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -127.54 130.59 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.216 0.532 . . . . 15.0 110.413 174.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -89.98 115.53 27.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.89 . . . . 15.0 110.665 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -92.35 123.3 35.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.018 -0.992 . . . . 15.0 110.223 -177.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -89.8 112.45 23.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.798 -0.815 . . . . 15.0 108.798 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -79.78 -9.17 59.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 15.0 111.334 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -90.36 -19.42 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.616 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -129.17 -8.53 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.503 -0.317 . . . . 15.0 111.446 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.5 mt 66.63 26.77 9.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.72 134.96 51.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.568 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.4 m -99.57 123.95 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.557 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.45 128.11 55.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.007 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -77.93 -3.89 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 15.0 110.848 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 136.42 54.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.914 -0.772 . . . . 15.0 108.914 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.68 129.48 85.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.209 0.528 . . . . 15.0 111.362 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.509 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 56.5 Cg_endo -68.45 150.0 75.21 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.07 2.513 . . . . 15.0 112.517 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -68.97 -7.74 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.449 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.69 -11.82 56.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.79 -0.641 . . . . 15.0 110.925 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 435' ' ' TRP . 51.3 tp -117.07 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.395 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.25 -0.881 . . . . 15.0 110.402 -174.914 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.773 -0.531 . . . . 15.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.4 108.97 20.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.876 0.369 . . . . 15.0 110.699 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.36 -15.7 20.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.374 0.607 . . . . 15.0 110.403 176.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -93.74 154.81 17.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.06 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.542 HG12 ' H ' ' A' ' 434' ' ' GLU . 25.7 t -96.23 134.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.287 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.5 t -83.87 14.39 4.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 15.0 110.643 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.542 ' H ' HG12 ' A' ' 432' ' ' VAL . 37.2 tt0 -76.06 -7.43 54.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.467 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.587 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 55.2 m95 -114.51 122.86 47.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.049 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 53.9 m -115.64 121.65 43.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.643 0.259 . . . . 15.0 110.707 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.672 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.9 pt-20 -97.16 133.52 41.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 15.0 111.743 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.41 135.26 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.665 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 13.2 tppt? -106.03 122.48 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.268 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 82.1 p -89.95 150.27 22.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.441 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.37 -30.19 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 15.0 111.476 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.424 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 0.2 OUTLIER -74.8 -7.05 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.724 178.005 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.74 31.86 14.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.94 -0.648 . . . . 15.0 113.414 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.424 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 47.4 mtmt -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 m -107.25 120.32 41.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.952 -175.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -115.19 127.26 55.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.45 0.643 . . . . 15.0 110.78 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.672 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 84.3 m-85 -94.69 115.08 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.805 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -92.16 119.55 31.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.564 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 18.2 t-20 -102.33 123.16 45.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.273 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.84 -6.86 52.74 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.81 0.694 . . . . 15.0 112.33 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 78.5 ttt180 -88.65 -43.73 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.072 0.463 . . . . 15.0 111.081 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.454 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.9 t -106.84 -5.04 18.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.263 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 29.0 mt 65.93 30.18 9.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.776 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -116.12 149.36 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.438 -173.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.1 m -115.28 116.76 28.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.433 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -105.48 131.56 52.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.834 -0.432 . . . . 15.0 109.834 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -76.6 3.95 10.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.33 0.586 . . . . 15.0 110.691 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -122.21 143.05 49.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.818 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 5.9 mtpm? -61.16 121.26 61.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.08 -0.341 . . . . 15.0 110.08 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.622 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -54.82 134.5 63.35 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.653 2.236 . . . . 15.0 111.419 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.7 -16.66 63.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.337 -175.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 -24.44 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.898 0.38 . . . . 15.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.622 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 63.0 tp -85.09 -30.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.04 -0.981 . . . . 15.0 111.109 173.519 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.918 -0.473 . . . . 15.0 111.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -114.8 -43.3 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.931 0.395 . . . . 15.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.3 t -152.05 -169.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.724 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 75.95 -37.2 0.3 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.861 0.864 . . . . 15.0 111.876 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.586 HG13 ' HD1' ' A' ' 435' ' ' TRP . 65.7 t -55.67 120.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 15.0 110.482 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.7 p -142.88 -8.97 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.037 0.446 . . . . 15.0 111.455 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.6 OUTLIER -105.71 -12.72 15.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.555 0.576 . . . . 15.0 112.555 -178.645 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.586 ' HD1' HG13 ' A' ' 432' ' ' VAL . 84.8 m95 -101.73 117.82 35.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 15.0 111.298 -174.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 22.4 m -108.81 130.8 55.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 15.0 109.935 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.71 134.21 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.998 0.428 . . . . 15.0 110.755 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.68 110.7 14.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 15.0 110.655 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -94.94 119.21 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.862 . . . . 15.0 109.552 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.6 p -89.97 150.08 22.29 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.98 37.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.512 0.56 . . . . 15.0 112.512 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -83.83 1.62 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 15.0 111.202 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.2 13.92 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.032 -0.604 . . . . 15.0 114.164 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -105.56 133.69 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.8 m -121.62 95.83 4.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.537 -0.301 . . . . 15.0 110.787 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -98.96 138.63 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.484 -0.561 . . . . 15.0 109.484 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 65.6 m-85 -103.16 116.54 32.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.976 -176.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -93.67 118.7 31.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.433 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 50.4 t-20 -89.98 115.43 27.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 176.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -74.74 -17.04 60.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.767 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -89.98 -16.8 29.12 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.437 . . . . 15.0 110.307 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.437 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.2 p -111.68 -16.7 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.861 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.4 mt 66.93 20.62 10.49 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.127 -175.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -105.26 134.9 47.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.692 -0.686 . . . . 15.0 111.79 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 p -93.39 115.1 27.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.776 . . . . 15.0 109.854 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.469 ' CD1' ' HZ3' ' A' ' 435' ' ' TRP . 74.6 m-85 -97.3 112.96 24.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.154 0.502 . . . . 15.0 111.31 -177.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -88.28 1.19 55.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.284 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -123.58 130.65 52.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.742 -1.117 . . . . 15.0 108.143 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.587 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 37.4 mtmm -64.3 119.04 52.76 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 15.0 111.392 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.93 148.92 65.04 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.137 2.558 . . . . 15.0 112.004 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -69.63 -14.13 62.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.187 0.518 . . . . 15.0 110.044 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.17 -20.24 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.118 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 49.2 tp -84.9 -29.8 24.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.84 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.333 -0.842 . . . . 15.0 109.941 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.152 -0.379 . . . . 15.0 112.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -162.7 169.89 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.9 p -85.98 -4.47 59.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.998 0.428 . . . . 15.0 111.36 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -139.33 98.44 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.055 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.48 101.7 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.648 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.9 t -123.33 -5.1 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.112 0.482 . . . . 15.0 109.942 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.516 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 12.9 mp0 -92.8 -17.02 24.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.951 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.431 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 74.4 m95 -120.29 119.48 33.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.414 -177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.3 m -129.95 117.38 20.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.514 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 123.71 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 15.0 111.099 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -104.98 122.13 45.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.809 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.485 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.3 tppp? -105.75 119.96 40.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.183 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 65.5 p -90.54 150.07 21.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.471 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.81 -29.91 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 15.0 111.589 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 444' ' ' LYS . 3.1 p30 -74.94 -6.43 49.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.71 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 39.54 6.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.803 -0.713 . . . . 15.0 113.911 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.48 ' HG3' ' OD1' ' A' ' 442' ' ' ASP . 34.5 mtmm -117.27 146.33 43.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 171.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.485 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 1.8 m -125.68 113.38 17.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.534 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -116.73 124.32 49.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.398 0.618 . . . . 15.0 110.173 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -93.39 114.89 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.572 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.405 ' HD2' ' OD1' ' A' ' 450' ' ' ASN . 35.0 t80 -91.48 128.26 37.25 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.066 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 47.0 t-20 -89.98 105.87 18.1 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.576 -0.898 . . . . 15.0 108.576 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.405 ' OD1' ' HD2' ' A' ' 448' ' ' TYR . 81.1 m-20 -74.22 -13.3 60.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.158 -175.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.516 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 17.3 tpp180 -89.66 -18.89 25.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.037 -176.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.8 m -135.75 -4.5 2.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.72 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.3 mt 68.96 29.78 4.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.031 0.532 . . . . 15.0 111.352 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -107.52 127.09 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.401 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -90.09 123.11 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.598 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -111.71 128.22 56.02 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.061 -0.348 . . . . 15.0 110.061 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -87.43 -0.96 57.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.316 0.579 . . . . 15.0 110.598 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -129.18 134.77 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.308 173.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 32.6 ttmt -67.24 127.89 93.6 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.501 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 18.2 Cg_endo -59.73 133.64 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.45 2.1 . . . . 15.0 110.326 169.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.1 -4.89 23.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.24 0.543 . . . . 15.0 110.746 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.79 -27.31 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.912 172.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.43 -29.99 15.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.39 -0.823 . . . . 15.0 110.93 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.388 -0.815 . . . . 15.0 111.552 179.252 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.338 -0.305 . . . . 15.0 112.338 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -117.64 130.82 56.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.706 -0.291 . . . . 15.0 110.553 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.4 p -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.09 0.471 . . . . 15.0 110.744 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.6 138.44 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.488 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.451 HG23 ' HD1' ' A' ' 435' ' ' TRP . 17.3 m -91.34 137.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.335 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.4 p -85.8 -0.54 55.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.927 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.527 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 32.0 mt-10 -78.97 -6.07 55.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.015 0.436 . . . . 15.0 110.981 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 97.3 m95 -104.62 107.17 17.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.825 -0.625 . . . . 15.0 109.427 172.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.1 m -90.04 115.66 27.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.908 0.385 . . . . 15.0 110.36 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.79 125.9 35.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.426 . . . . 15.0 111.308 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -110.68 118.1 35.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.059 -0.519 . . . . 15.0 109.961 173.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -105.85 117.18 33.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.893 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.9 p -94.81 150.04 20.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.229 -0.286 . . . . 15.0 110.229 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.35 -29.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.69 -5.89 43.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.617 . . . . 15.0 111.805 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 29.91 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.003 -0.618 . . . . 15.0 113.811 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -109.82 110.8 21.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.171 0.485 . . . . 15.0 109.742 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.9 m -108.56 99.27 8.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.51 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -97.76 126.14 42.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.313 0.578 . . . . 15.0 110.512 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -95.26 118.47 32.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.851 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.89 122.09 37.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 26.5 t-20 -89.98 115.67 27.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 0.57 43.52 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.985 0.365 . . . . 15.0 111.985 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 7.8 mmp_? -89.34 -34.64 16.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.831 0.348 . . . . 15.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -117.68 -3.45 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.107 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 91.6 mt 66.69 26.66 9.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -95.79 133.32 40.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.183 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.6 t -100.66 119.05 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.046 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -110.95 119.3 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.778 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -82.16 1.79 34.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.283 0.563 . . . . 15.0 110.482 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.87 150.0 45.49 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.478 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -59.71 130.87 88.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.1 Cg_endo -64.26 158.62 47.64 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.004 2.47 . . . . 15.0 111.609 173.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.06 -22.22 66.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.994 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.42 -5.35 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 15.0 111.359 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 27.5 tp -95.59 -29.78 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.148 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.442 ' NZ ' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.888 0 O-C-N 123.889 0.743 . . . . 15.0 111.088 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.127 -0.389 . . . . 15.0 112.127 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -154.8 113.12 3.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 15.0 110.425 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.8 t -150.59 19.58 0.82 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.325 0.583 . . . . 15.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -133.68 154.51 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.388 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 435' ' ' TRP . 10.9 p -147.72 136.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.462 . . . . 15.0 111.023 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 t -124.91 -14.98 6.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.628 . . . . 15.0 109.843 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.536 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 22.1 mt-10 -68.46 -23.33 64.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.224 0.535 . . . . 15.0 110.308 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.5 m95 -112.22 117.88 33.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.406 -0.815 . . . . 15.0 109.875 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.8 m -118.16 110.81 18.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.044 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -92.12 126.45 37.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.288 0.566 . . . . 15.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.78 124.61 49.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.48 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -94.55 117.81 30.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.126 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.8 p -89.98 150.1 22.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.915 0.388 . . . . 15.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.29 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.125 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.36 2.03 38.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.586 0.232 . . . . 15.0 111.34 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.46 4.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.769 -0.729 . . . . 15.0 113.732 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -126.23 143.71 51.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.933 0.396 . . . . 15.0 109.968 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.0 m -127.95 97.1 4.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -98.18 132.41 43.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.349 0.595 . . . . 15.0 110.707 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -91.71 115.36 27.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -104.54 119.14 38.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.994 0.426 . . . . 15.0 110.277 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 27.0 t-20 -94.09 118.44 31.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.265 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -86.82 -2.24 58.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.071 0.463 . . . . 15.0 111.183 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 45.8 ttp180 -81.37 -38.21 26.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.589 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.2 p -120.66 -2.07 9.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.3 mt 69.81 26.22 4.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.25 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -95.72 130.55 42.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.548 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -99.62 124.61 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 15.0 110.735 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -119.79 128.04 53.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.444 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -85.71 -18.72 32.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.353 -0.61 . . . . 15.0 109.353 172.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -93.77 149.7 21.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.925 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -72.6 121.8 85.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.31 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.26 131.51 32.51 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.67 2.246 . . . . 15.0 111.681 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -83.12 -7.11 59.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 15.0 110.537 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -80.18 -4.48 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 15.0 110.172 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.9 tp -87.31 -30.07 21.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.123 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm . . . . . 0 C--O 1.253 1.259 0 CA-C-N 115.327 -0.851 . . . . 15.0 111.371 179.207 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.784 -0.526 . . . . 15.0 111.784 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 58.14 66.76 1.04 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.166 0.508 . . . . 15.0 110.896 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.5 m -69.23 106.49 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 15.0 110.183 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -128.27 151.57 49.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 15.0 111.009 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.1 p -153.43 115.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.844 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.4 m -89.75 3.1 53.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.052 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.578 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 28.1 mm-40 -84.93 -15.08 45.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.221 -176.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -117.13 118.81 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.478 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.5 m -124.67 118.69 27.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.465 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -89.99 125.48 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.545 0.688 . . . . 15.0 111.976 -177.464 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.86 119.02 38.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.317 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -111.43 120.59 42.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.233 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 78.5 p -95.2 150.1 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 15.0 111.037 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.86 68.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.577 -0.738 . . . . 15.0 112.333 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.01 -0.36 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.269 . . . . 15.0 111.225 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 53.88 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 15.0 113.586 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.451 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 53.1 mttp -126.67 129.64 48.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 172.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.4 m -122.99 114.84 20.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.952 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -133.3 127.7 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.495 0.664 . . . . 15.0 110.605 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 94.0 m-85 -90.48 115.38 27.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.002 -0.999 . . . . 15.0 110.351 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -90.06 119.44 30.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.826 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -90.02 114.81 26.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -77.09 -12.56 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.943 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.578 ' HD2' ' OE1' ' A' ' 434' ' ' GLU . 0.4 OUTLIER -83.61 -38.49 21.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 15.0 110.756 -176.032 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -110.94 -5.13 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.265 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.3 mt 67.36 22.2 9.55 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.641 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HA ' ' OE1' ' A' ' 454' ' ' GLU . 6.8 mm-40 -101.33 138.33 38.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.422 -173.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.2 m -100.95 115.46 30.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.811 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.79 119.26 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.256 -0.429 . . . . 15.0 109.934 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -76.61 -10.1 59.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.357 0.598 . . . . 15.0 110.117 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 132.57 54.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.28 -0.873 . . . . 15.0 108.904 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.4 ptpp? -77.4 130.44 74.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.042 0.449 . . . . 15.0 110.717 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.55 146.54 55.58 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.625 2.216 . . . . 15.0 111.6 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -70.35 -7.15 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 15.0 109.91 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.15 -20.28 60.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.336 -0.847 . . . . 15.0 109.966 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.23 -45.16 5.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.739 -0.664 . . . . 15.0 110.154 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.928 0.767 . . . . 15.0 111.543 176.21 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.629 -0.588 . . . . 15.0 111.629 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.71 -48.85 7.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.333 0.587 . . . . 15.0 109.745 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.7 p -109.2 -73.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.229 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 65.48 109.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.037 0.836 . . . . 15.0 111.359 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.471 HG11 ' NH1' ' A' ' 451' ' ' ARG . 4.7 p -140.47 105.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.634 0.73 . . . . 15.0 111.088 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.3 p -107.25 9.18 30.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.791 -0.64 . . . . 15.0 109.988 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.84 86.14 2.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.655 -176.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -130.3 114.37 15.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.057 -0.974 . . . . 15.0 109.073 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.37 114.61 28.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.495 -0.32 . . . . 15.0 110.314 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.77 132.64 37.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 15.0 110.676 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -111.86 128.24 56.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.485 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.605 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -105.34 123.61 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.597 -174.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 36.2 p -90.06 150.21 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 15.0 109.097 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.92 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 -2.37 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 15.0 111.434 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 37.9 6.57 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.948 -0.644 . . . . 15.0 113.763 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.442 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 49.5 mttp -105.04 131.29 52.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 171.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.0 m -124.42 108.41 12.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.824 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -103.99 129.44 51.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.197 0.522 . . . . 15.0 109.646 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.64 116.85 28.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.608 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -98.81 119.85 38.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 15.0 110.125 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 24.9 t-20 -90.05 113.19 24.85 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.082 -0.71 . . . . 15.0 109.082 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.18 -7.08 54.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 15.0 112.073 -172.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.471 ' NH1' HG11 ' A' ' 432' ' ' VAL . 53.1 ttp180 -78.78 -53.88 6.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.871 0.367 . . . . 15.0 110.491 178.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 m -102.18 -5.06 24.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.114 -176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.3 mt 68.01 29.94 6.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.213 0.53 . . . . 15.0 110.661 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.38 137.42 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 15.0 111.418 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.0 t -104.59 115.69 30.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 15.0 110.058 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -107.68 115.99 31.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.856 0.36 . . . . 15.0 111.271 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -84.62 4.33 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 15.0 110.62 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -148.9 146.23 27.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.413 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 459' ' ' LYS . 33.3 ttmt -69.32 121.58 82.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 113.045 0.757 . . . . 15.0 113.045 -170.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -80.71 155.25 20.75 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.353 2.702 . . . . 15.0 111.625 171.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -71.77 -14.13 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 15.0 110.805 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.27 -20.44 61.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.263 0.554 . . . . 15.0 109.733 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.5 tp -94.87 -66.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.631 -0.713 . . . . 15.0 110.392 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.6 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.4 -0.809 . . . . 15.0 111.081 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 110.901 -0.879 . . . . 15.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 56.49 27.48 12.29 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.221 0.534 . . . . 15.0 110.469 -174.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.9 m -68.16 -44.08 76.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.64 -0.709 . . . . 15.0 111.148 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 51.2 78.51 0.11 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 123.647 0.592 . . . . 15.0 111.401 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 434' ' ' GLU . 11.8 p -134.78 135.11 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.719 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.3 m -84.26 -0.98 54.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 15.0 111.155 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.794 ' H ' HG22 ' A' ' 432' ' ' VAL . 8.1 tp10 -84.8 -7.36 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.078 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.452 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.6 m95 -134.94 113.32 11.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.457 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -126.22 125.66 42.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.457 . . . . 15.0 110.461 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.768 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.3 pt-20 -100.97 128.85 46.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 15.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.72 117.67 34.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.991 0.424 . . . . 15.0 110.832 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 121.56 33.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.108 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.1 p -89.97 150.22 22.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.76 64.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.981 0.419 . . . . 15.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.25 -5.6 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.947 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 37.46 6.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.929 -0.653 . . . . 15.0 113.682 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -126.43 128.38 46.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.746 -0.464 . . . . 15.0 109.746 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.0 m -115.26 125.63 53.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.875 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -120.49 131.84 54.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.523 0.678 . . . . 15.0 110.545 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.768 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 65.6 m-85 -90.5 124.81 35.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.248 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -104.31 115.96 31.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.161 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 24.1 t-20 -98.99 117.64 33.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.749 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -73.95 -31.78 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 15.0 111.442 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 6.1 tpm_? -64.04 -38.67 91.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.194 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 m -121.79 0.97 9.9 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.981 -0.287 . . . . 15.0 111.145 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.6 mt 63.81 26.21 14.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.067 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -95.98 144.61 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.934 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.639 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 t -123.34 131.95 53.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.57 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -125.65 130.97 52.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -79.83 5.15 14.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.242 0.544 . . . . 15.0 110.655 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -127.18 143.65 51.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.212 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 125.22 91.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.444 . . . . 15.0 111.051 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.91 142.22 87.44 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.652 2.234 . . . . 15.0 111.058 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.01 -22.66 67.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.898 0.38 . . . . 15.0 110.044 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -63.87 -15.01 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.916 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.0 tp -94.93 -29.68 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.297 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 8.1 tmtm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.253 -0.88 . . . . 15.0 110.099 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.688 -0.565 . . . . 15.0 111.688 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.94 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.445 0.641 . . . . 15.0 109.734 174.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.8 t -118.28 165.14 14.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 15.0 109.859 176.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -93.26 -39.34 11.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.723 0.297 . . . . 15.0 110.756 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.36 123.19 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 121.278 0.561 . . . . 15.0 110.219 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.2 m -93.85 -4.07 50.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.408 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.54 -19.65 62.14 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.642 -0.503 . . . . 15.0 109.642 174.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.453 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 87.7 m95 -99.08 103.58 15.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.047 169.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.0 m -92.02 119.6 31.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.014 0.435 . . . . 15.0 110.564 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.455 ' HG2' ' H ' ' A' ' 437' ' ' GLU . 6.7 pt-20 -89.94 112.23 23.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 15.0 110.61 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 445' ' ' THR . 56.3 m-85 -103.48 121.92 43.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.643 -177.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 117.83 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.485 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.5 p -89.96 150.35 22.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.268 -0.423 . . . . 15.0 110.567 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.95 -29.95 63.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.966 0.413 . . . . 15.0 111.313 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -3.93 39.41 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.781 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.88 30.09 13.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.013 -0.613 . . . . 15.0 113.868 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 53.3 mtpt -111.05 125.58 53.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.391 -0.476 . . . . 15.0 109.974 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 24.7 m -117.16 125.2 50.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.451 -0.34 . . . . 15.0 111.222 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 36.0 p90 -140.09 150.05 43.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.404 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -104.28 121.6 43.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.426 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -101.01 120.03 39.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.332 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -90.02 116.29 27.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.287 -0.634 . . . . 15.0 109.287 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -82.94 -11.11 58.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 15.0 111.241 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 451' ' ' ARG . 1.3 tpm_? -84.23 -31.32 25.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.306 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.4 p -116.8 -10.03 11.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.329 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.9 mt 68.38 26.78 6.62 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.213 0.605 . . . . 15.0 110.941 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -107.08 140.23 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.313 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.2 m -108.32 119.76 40.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.854 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.6 133.06 56.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.554 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.55 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 82.8 m95 -88.99 -11.53 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.233 0.54 . . . . 15.0 110.155 175.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -109.34 140.81 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.16 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -60.23 122.15 64.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.147 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.721 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 40.4 Cg_endo -67.51 150.79 80.34 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.641 2.228 . . . . 15.0 111.55 175.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -68.9 -9.55 52.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.539 . . . . 15.0 110.58 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.85 -6.97 53.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 15.0 109.969 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.721 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 29.2 tp -94.01 -30.06 14.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.846 -175.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.813 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.627 -0.702 . . . . 15.0 110.564 -177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.521 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 95.4 m95 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.6 m -106.6 131.46 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.881 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.13 121.67 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 15.0 110.542 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -108.31 121.98 46.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.963 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.614 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.1 tppp? -104.63 124.15 48.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.593 -177.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.4 p -90.06 150.14 22.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.231 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.78 -30.06 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -85.33 1.64 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 15.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.29 50.84 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.874 -0.679 . . . . 15.0 113.723 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -125.99 131.53 52.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.973 -0.38 . . . . 15.0 109.973 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.614 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 9.7 m -111.48 125.49 53.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.096 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -138.1 140.99 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 15.0 110.114 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -97.05 120.62 37.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.479 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -99.3 117.64 34.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 15.0 109.444 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.7 t-20 -105.32 115.07 29.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.168 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.69 -27.04 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.064 0.459 . . . . 15.0 110.328 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -53.64 -47.6 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.512 -0.767 . . . . 15.0 111.136 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.85 -8.56 14.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.118 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 82.4 mt 67.42 24.78 8.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.721 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -102.05 136.0 42.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.737 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.9 m -108.91 122.22 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.577 . . . . 15.0 110.163 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.96 129.5 55.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.394 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -86.19 0.43 53.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.512 . . . . 15.0 110.329 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.88 150.07 51.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.262 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' A' ' 459' ' ' LYS . 31.0 mttp -60.07 126.97 85.15 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.569 -0.741 . . . . 15.0 111.873 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.521 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 44.1 Cg_endo -67.04 147.86 80.56 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.021 2.48 . . . . 15.0 111.403 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -67.71 -12.65 60.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 15.0 110.842 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -68.29 -23.49 64.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.61 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 57.4 tp -90.35 -47.4 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.73 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.602 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.175 0 O-C-N 123.81 0.694 . . . . 15.0 109.852 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.463 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.7 m95 . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.372 0.606 . . . . 15.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 79.4 m -108.44 128.64 54.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.482 -0.781 . . . . 15.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.8 140.44 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -121.85 112.85 18.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 15.0 110.096 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.611 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -89.86 115.11 26.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.151 -0.931 . . . . 15.0 110.495 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.7 p -94.07 150.29 20.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.358 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.18 -29.78 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 15.0 111.189 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.28 0.63 15.98 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.484 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.62 30.15 33.66 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.093 -0.575 . . . . 15.0 113.57 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -118.82 106.78 12.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.302 0.572 . . . . 15.0 110.831 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.8 m -92.16 104.53 16.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.369 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -100.36 135.77 41.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.513 -0.551 . . . . 15.0 109.513 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -98.62 116.14 30.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.602 -0.727 . . . . 15.0 109.874 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -99.79 125.51 45.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.223 -176.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -89.81 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.04 -14.77 59.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.463 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -88.08 -34.94 17.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.896 0.379 . . . . 15.0 110.522 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 66.1 p -112.15 -2.31 15.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.367 -0.379 . . . . 15.0 111.359 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.2 mt 63.9 26.87 14.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.883 -0.599 . . . . 15.0 111.134 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -100.17 128.65 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.008 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.6 t -97.87 119.57 36.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.19 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -114.96 125.62 53.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.393 -0.367 . . . . 15.0 111.079 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -86.38 -2.45 58.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.192 0.52 . . . . 15.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 149.93 48.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.614 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -59.99 126.0 82.37 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.289 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.519 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 73.4 Cg_endo -76.03 147.11 29.84 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.821 2.347 . . . . 15.0 111.977 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.5 -15.16 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.775 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.47 -20.33 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.826 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.519 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 47.0 tp -82.53 -30.09 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.945 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.78 -0.629 . . . . 15.0 110.305 -176.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 82.3 m95 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.706 0.289 . . . . 15.0 110.74 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -121.03 116.17 24.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.595 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.98 124.97 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.988 0.423 . . . . 15.0 110.76 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -109.22 114.47 28.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.237 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 124.32 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.9 p -89.85 150.15 22.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.193 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.89 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.94 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -84.43 4.65 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.574 -0.284 . . . . 15.0 111.496 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.69 43.77 5.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 15.0 113.912 170.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -130.8 129.2 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.2 m -119.06 113.39 20.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.712 0.291 . . . . 15.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -102.02 129.16 48.26 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.05 114.8 26.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.928 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -99.03 120.47 39.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.473 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.605 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 22.4 t-20 -89.93 112.0 23.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.25 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -76.34 -4.74 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.687 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 1.7 tpm_? -84.96 -38.84 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.929 0.395 . . . . 15.0 110.64 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.6 m -122.84 1.35 9.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.709 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 62.5 mt 65.64 30.15 10.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.273 0.558 . . . . 15.0 110.878 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -93.8 138.71 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.978 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.3 t -111.56 117.81 34.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.383 . . . . 15.0 110.47 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.89 138.86 47.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 15.0 109.981 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -87.35 -2.73 58.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.122 0.487 . . . . 15.0 110.511 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -116.07 142.21 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.574 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.41 122.25 87.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.794 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.692 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 33.7 Cg_endo -61.83 147.14 95.89 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.068 2.512 . . . . 15.0 111.447 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -88.27 -8.11 55.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -170.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.692 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -87.98 -10.99 48.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 15.0 110.152 175.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.4 -29.86 33.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.716 171.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 10.3 ptmm? . . . . . 0 C--O 1.253 1.244 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.409 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.9 m95 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.009 -0.367 . . . . 15.0 110.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.9 m -93.72 111.24 22.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.475 -0.33 . . . . 15.0 110.138 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -89.91 138.05 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.517 -178.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -115.2 116.13 27.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.552 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.12 112.95 25.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.25 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.8 p -89.83 150.11 22.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.693 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.36 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.782 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.23 -2.47 31.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 15.0 111.774 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 31.92 10.15 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.891 -0.671 . . . . 15.0 113.803 173.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.411 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.3 mttm -108.95 135.39 50.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.996 0.398 . . . . 15.0 110.103 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -117.87 96.36 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -100.61 136.33 40.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 15.0 110.085 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -104.11 126.59 51.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.581 -0.736 . . . . 15.0 111.149 -172.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -106.74 123.92 48.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.836 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.2 t-20 -91.82 114.92 27.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.476 -0.564 . . . . 15.0 109.476 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -75.1 -15.52 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 15.0 112.352 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 451' ' ' ARG . 44.3 ttm105 -89.99 -43.19 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.379 . . . . 15.0 111.018 -177.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.0 m -89.32 -13.37 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.446 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.4 mt 68.77 30.06 4.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.866 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -109.64 133.1 53.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.243 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 p -104.77 121.0 42.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.674 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.39 125.57 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.593 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.92 5.34 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.239 0.542 . . . . 15.0 110.065 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.96 146.92 48.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.184 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.97 118.12 70.21 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 15.0 111.518 -174.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 145.94 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.145 2.563 . . . . 15.0 112.57 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -78.03 -8.67 58.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.395 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.91 14.14 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.979 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 58.0 tp -143.55 -53.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.031 -0.985 . . . . 15.0 109.989 -177.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 83.7 m95 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.846 0.355 . . . . 15.0 110.088 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 30.6 m -104.39 116.86 32.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.024 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.85 132.34 35.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -107.54 111.48 23.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.93 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.408 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -97.14 122.51 40.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.951 -1.022 . . . . 15.0 110.47 -177.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.2 p -89.83 150.4 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.05 62.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.116 0.484 . . . . 15.0 110.98 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.11 0.75 23.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.658 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.52 29.94 20.26 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.971 -0.633 . . . . 15.0 114.254 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -106.88 132.14 53.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.425 0.612 . . . . 15.0 109.446 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 m -124.82 110.66 14.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 15.0 111.299 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.25 126.94 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.74 115.86 28.41 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.525 -0.762 . . . . 15.0 110.359 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -105.61 118.13 35.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.337 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 26.7 t-20 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 15.0 109.381 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.88 -12.43 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.781 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.505 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 37.7 ttp180 -74.66 -50.82 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 15.0 110.965 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 11.09 13.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.941 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.3 mt 63.13 30.1 16.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.086 -0.506 . . . . 15.0 111.868 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -90.03 132.33 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.953 -175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -107.08 118.0 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.111 0.481 . . . . 15.0 110.718 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -116.31 127.79 55.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.615 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -87.42 -19.46 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.235 0.541 . . . . 15.0 110.478 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -111.21 145.57 38.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.776 -0.647 . . . . 15.0 109.657 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -64.52 116.79 31.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.369 -0.832 . . . . 15.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.436 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -74.05 152.28 45.67 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.664 2.243 . . . . 15.0 111.85 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.25 -17.54 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.159 0.504 . . . . 15.0 110.467 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -72.97 -17.56 61.46 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.222 0.534 . . . . 15.0 110.198 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.436 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 66.4 tp -87.96 -29.84 20.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.394 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.34 -0.838 . . . . 15.0 110.483 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.776 0.322 . . . . 15.0 110.724 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.3 m -123.19 126.99 48.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.461 -0.336 . . . . 15.0 110.727 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 9.9 pt-20 -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.293 0.568 . . . . 15.0 110.761 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -93.29 121.4 34.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.558 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -105.14 118.64 37.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.188 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.491 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 79.7 p -98.16 150.08 21.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.663 0.268 . . . . 15.0 110.682 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.96 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.043 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -79.86 0.4 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.5 -0.318 . . . . 15.0 110.976 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 61.32 1.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.871 -0.681 . . . . 15.0 113.494 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.491 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 55.6 mttp -134.07 143.83 48.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.044 0.45 . . . . 15.0 110.404 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -130.2 104.6 7.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.429 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 40.2 p90 -117.4 128.38 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.276 0.56 . . . . 15.0 110.451 176.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.625 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 73.8 m-85 -89.88 112.0 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.304 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -109.41 116.17 31.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.289 -0.869 . . . . 15.0 110.132 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 47.5 t-20 -90.31 114.99 27.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.083 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.89 -16.56 62.7 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.537 0.523 . . . . 15.0 111.656 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -89.77 -39.4 13.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.978 -174.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 30.0 p -102.89 -5.1 23.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.53 -0.304 . . . . 15.0 111.187 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 26.2 mt 65.76 24.32 11.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.705 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -99.82 129.55 45.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.425 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.34 114.93 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.435 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -124.21 126.71 46.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.279 -0.267 . . . . 15.0 110.279 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 83.0 m95 -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.108 0.48 . . . . 15.0 110.343 176.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.41 142.13 36.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.896 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 58.9 mttp -60.15 120.13 48.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 123.212 0.32 . . . . 15.0 110.893 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 37.4 Cg_endo -66.7 148.1 82.46 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.648 2.232 . . . . 15.0 111.431 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -67.65 -12.14 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.178 0.513 . . . . 15.0 110.486 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.33 -28.4 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.145 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 59.7 tp -95.58 -44.52 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.9 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 463' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 O-C-N 124.705 1.253 . . . . 15.0 112.397 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.3 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 m -116.14 120.19 38.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.589 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.664 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.0 pt-20 -91.67 136.14 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.099 0.476 . . . . 15.0 111.232 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -120.6 124.86 46.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.638 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.5 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -91.25 121.29 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.194 -178.532 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.96 150.21 22.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.718 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.35 -29.92 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.6 0.592 . . . . 15.0 112.6 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -82.99 5.42 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 15.0 111.25 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.36 51.19 3.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.061 -0.59 . . . . 15.0 113.336 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -136.32 146.42 46.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.379 . . . . 15.0 110.013 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 m -124.19 113.75 18.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.894 -176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -112.76 132.75 55.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 15.0 110.161 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 64.8 m-85 -93.62 115.56 28.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.21 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -90.05 120.72 31.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.985 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.6 t-20 -90.1 115.56 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -75.55 -5.1 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.831 0.678 . . . . 15.0 112.831 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -82.05 -61.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 15.0 110.258 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.7 m -94.33 -1.19 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.119 -0.492 . . . . 15.0 110.661 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.45 29.34 9.24 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.478 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -91.66 124.58 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.218 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -92.64 109.11 20.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.182 0.515 . . . . 15.0 110.308 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -96.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.136 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.58 -10.01 59.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.449 0.642 . . . . 15.0 109.784 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 140.36 49.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.997 -1.001 . . . . 15.0 109.035 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 57.8 mtpt -68.65 120.34 74.96 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.2 0.445 . . . . 15.0 112.2 -173.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.862 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -66.27 146.33 80.71 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.172 2.581 . . . . 15.0 111.93 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -23.9 65.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.748 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.38 -1.98 58.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.971 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.862 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 53.9 tp -82.34 -30.1 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 15.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.305 -0.855 . . . . 15.0 110.661 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.524 ' HB2' HD13 ' A' ' 463' ' ' LEU . 89.1 m95 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.906 0.384 . . . . 15.0 111.326 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 33.3 m -111.71 115.07 28.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.9 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 2.5 pt-20 -91.05 132.69 35.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.183 0.516 . . . . 15.0 110.639 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -109.14 107.75 18.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.801 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.8 115.79 27.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.502 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.3 p -89.87 149.97 22.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.765 0.316 . . . . 15.0 111.219 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.521 . . . . 15.0 111.564 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.56 -0.28 19.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.711 0.291 . . . . 15.0 111.114 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 41.79 5.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.93 -0.653 . . . . 15.0 113.785 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -133.93 173.92 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.4 m -149.13 113.63 5.3 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.191 -0.204 . . . . 15.0 110.971 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -101.76 125.68 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.357 -0.609 . . . . 15.0 109.357 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.621 ' CZ ' ' HB3' ' A' ' 459' ' ' LYS . 84.8 m-85 -93.37 117.75 30.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.285 -0.87 . . . . 15.0 110.528 -174.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -92.14 120.35 32.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.824 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.832 ' HB2' ' HE2' ' A' ' 456' ' ' TYR . 49.2 t-20 -89.95 109.69 20.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.889 -0.782 . . . . 15.0 108.889 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -72.92 -13.49 61.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.627 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.533 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 2.9 mmp_? -89.97 -30.27 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.645 0.239 . . . . 15.0 111.645 -176.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.7 p -118.59 -3.13 10.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.91 0.337 . . . . 15.0 111.91 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.8 mt 65.7 30.08 10.47 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.098 0.475 . . . . 15.0 110.458 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -110.89 131.12 55.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.319 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.4 m -98.48 116.54 30.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.12 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.832 ' HE2' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m-85 -101.93 142.44 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.218 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -90.07 -12.11 39.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.25 0.547 . . . . 15.0 110.404 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.85 134.59 52.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.73 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.621 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 13.4 ptmm? -84.34 131.79 49.4 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 15.0 111.051 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.677 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 35.2 Cg_endo -63.13 152.09 81.44 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.915 2.41 . . . . 15.0 111.624 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -81.56 -18.01 46.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.541 0.571 . . . . 15.0 112.541 -172.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.677 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -85.94 -9.14 57.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.906 -0.497 . . . . 15.0 110.596 178.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 435' ' ' TRP . 47.6 tp -71.23 -29.81 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.16 171.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 15.0 109.807 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.482 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 61.5 m95 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.025 0.441 . . . . 15.0 110.44 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.1 m -108.32 137.75 45.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.326 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.96 127.49 47.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 15.0 110.541 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.1 m-85 -116.72 115.52 25.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.992 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 124.0 46.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.993 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.1 p -90.01 150.46 22.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.101 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.84 -30.29 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.148 0.795 . . . . 15.0 113.148 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -87.94 3.81 47.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.65 0.262 . . . . 15.0 111.415 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 33.24 8.93 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.885 -0.674 . . . . 15.0 114.041 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.618 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 35.6 mtmm -110.51 128.01 55.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.404 0.602 . . . . 15.0 109.801 173.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 3.9 m -118.6 115.58 24.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.878 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -115.52 131.23 57.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.502 . . . . 15.0 110.017 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 455' ' ' SER . 94.8 m-85 -92.17 124.39 36.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -113.5 126.62 55.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.82 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.512 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 47.3 t-20 -118.69 131.58 56.15 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.882 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -83.22 -22.68 33.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.638 0.607 . . . . 15.0 112.638 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.512 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -88.09 -10.83 48.86 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.159 -0.616 . . . . 15.0 110.479 177.026 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.3 m -103.93 -25.23 13.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.904 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.9 mt 64.67 24.35 12.92 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.353 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -132.79 149.95 52.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.578 -170.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 15.7 m -118.06 124.59 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.1 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -116.22 142.29 47.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.618 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 73.4 m95 -88.29 -2.13 58.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.499 0.666 . . . . 15.0 109.685 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.56 149.84 35.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.067 -0.97 . . . . 15.0 109.478 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -74.14 129.87 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 15.0 111.051 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.482 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 71.6 Cg_endo -75.98 151.72 35.54 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.09 2.527 . . . . 15.0 111.969 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -69.34 -5.09 21.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.034 0.445 . . . . 15.0 110.819 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -85.1 -11.77 54.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.326 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.12 -30.39 12.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.941 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.243 0.723 0 CA-C-O 118.793 -0.622 . . . . 15.0 110.135 179.137 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.49 ' HB2' HD13 ' A' ' 463' ' ' LEU . 88.5 m95 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.674 0.273 . . . . 15.0 110.589 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 118.66 36.88 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.047 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.614 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 4.6 pt-20 -90.0 115.4 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 15.0 111.472 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.57 128.26 49.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.374 -0.83 . . . . 15.0 110.906 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -99.31 127.17 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.374 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 80.5 p -89.61 150.49 22.36 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.86 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.75 0.72 52.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.711 0.291 . . . . 15.0 111.505 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 39.97 5.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.927 -0.654 . . . . 15.0 114.124 173.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.582 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 57.8 mttp -112.84 139.76 48.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.644 -0.502 . . . . 15.0 109.644 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -119.51 115.87 24.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.788 -0.187 . . . . 15.0 110.638 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -116.24 132.96 56.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.309 0.576 . . . . 15.0 110.228 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 36.8 m-85 -96.53 114.64 26.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.809 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.67 118.19 36.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.46 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.454 . . . . 15.0 109.954 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -73.95 -17.25 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.939 -173.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 451' ' ' ARG . 2.1 tpm_? -77.76 -33.25 52.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 15.0 110.853 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.0 p -119.94 -2.87 10.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.673 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.1 mt 64.37 22.64 12.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.278 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.88 134.65 34.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.864 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -115.92 113.74 23.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.85 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.24 136.1 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.322 -0.251 . . . . 15.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.582 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 77.0 m95 -80.28 0.81 31.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.137 0.494 . . . . 15.0 110.368 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.06 144.06 50.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 15.0 109.777 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.653 ' HE2' HD23 ' A' ' 463' ' ' LEU . 29.1 ttmt -88.5 126.09 61.27 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.743 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.73 148.12 76.86 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.157 2.571 . . . . 15.0 111.716 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.419 ' O ' ' HE3' ' A' ' 464' ' ' LYS . 8.8 tp-100 -75.16 -5.03 42.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.848 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -19.37 22.69 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.71 -0.619 . . . . 15.0 111.395 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.653 HD23 ' HE2' ' A' ' 459' ' ' LYS . 62.3 tp -83.31 -52.42 6.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 15.0 110.351 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 459' ' ' LYS . 80.1 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.692 -0.671 . . . . 15.0 111.045 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.509 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 99.5 m95 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.685 -0.487 . . . . 15.0 109.685 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 35.7 m -130.92 122.83 27.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.58 -0.282 . . . . 15.0 110.832 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 4.0 pt-20 -97.15 131.93 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.582 . . . . 15.0 111.324 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.9 108.18 20.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.186 171.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.42 116.57 28.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.034 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 35.0 p -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.2 -29.85 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 15.0 111.826 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.64 6.05 25.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.855 0.359 . . . . 15.0 111.465 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.36 35.93 7.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.811 -0.709 . . . . 15.0 114.343 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.23 129.03 56.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.132 0.466 . . . . 15.0 110.077 173.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 47.5 m -127.06 120.95 30.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.649 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -127.54 130.59 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.216 0.532 . . . . 15.0 110.413 174.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -89.98 115.53 27.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.89 . . . . 15.0 110.665 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -92.35 123.3 35.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.018 -0.992 . . . . 15.0 110.223 -177.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -89.8 112.45 23.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.798 -0.815 . . . . 15.0 108.798 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -79.78 -9.17 59.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 15.0 111.334 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -90.36 -19.42 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.616 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -129.17 -8.53 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.503 -0.317 . . . . 15.0 111.446 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.5 mt 66.63 26.77 9.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.72 134.96 51.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.568 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.4 m -99.57 123.95 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.557 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.45 128.11 55.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.007 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -77.93 -3.89 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 15.0 110.848 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 136.42 54.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.914 -0.772 . . . . 15.0 108.914 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.68 129.48 85.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.209 0.528 . . . . 15.0 111.362 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.509 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 56.5 Cg_endo -68.45 150.0 75.21 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.07 2.513 . . . . 15.0 112.517 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -68.97 -7.74 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.449 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.69 -11.82 56.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.79 -0.641 . . . . 15.0 110.925 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 435' ' ' TRP . 51.3 tp -117.07 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.395 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.25 -0.881 . . . . 15.0 110.402 -174.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.587 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 55.2 m95 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 53.9 m -115.64 121.65 43.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.643 0.259 . . . . 15.0 110.707 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.672 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.9 pt-20 -97.16 133.52 41.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 15.0 111.743 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.41 135.26 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.665 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 13.2 tppt? -106.03 122.48 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.268 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 82.1 p -89.95 150.27 22.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.441 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.37 -30.19 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 15.0 111.476 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.424 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 0.2 OUTLIER -74.8 -7.05 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.724 178.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.74 31.86 14.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.94 -0.648 . . . . 15.0 113.414 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.424 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 47.4 mtmt -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 m -107.25 120.32 41.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.952 -175.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -115.19 127.26 55.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.45 0.643 . . . . 15.0 110.78 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.672 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 84.3 m-85 -94.69 115.08 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.805 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -92.16 119.55 31.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.564 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 18.2 t-20 -102.33 123.16 45.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.273 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.84 -6.86 52.74 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.81 0.694 . . . . 15.0 112.33 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 78.5 ttt180 -88.65 -43.73 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.072 0.463 . . . . 15.0 111.081 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.454 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.9 t -106.84 -5.04 18.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.263 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 29.0 mt 65.93 30.18 9.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.776 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -116.12 149.36 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.438 -173.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.1 m -115.28 116.76 28.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.433 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -105.48 131.56 52.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.834 -0.432 . . . . 15.0 109.834 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -76.6 3.95 10.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.33 0.586 . . . . 15.0 110.691 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -122.21 143.05 49.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.818 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 5.9 mtpm? -61.16 121.26 61.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.08 -0.341 . . . . 15.0 110.08 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.622 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -54.82 134.5 63.35 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.653 2.236 . . . . 15.0 111.419 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.7 -16.66 63.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.337 -175.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 -24.44 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.898 0.38 . . . . 15.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.622 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 63.0 tp -85.09 -30.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.04 -0.981 . . . . 15.0 111.109 173.519 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.469 ' HZ3' ' CD1' ' A' ' 456' ' ' TYR . 84.8 m95 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.794 0.331 . . . . 15.0 111.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 22.4 m -108.81 130.8 55.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 15.0 109.935 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.71 134.21 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.998 0.428 . . . . 15.0 110.755 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.68 110.7 14.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 15.0 110.655 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -94.94 119.21 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.862 . . . . 15.0 109.552 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.6 p -89.97 150.08 22.29 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.98 37.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.512 0.56 . . . . 15.0 112.512 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -83.83 1.62 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 15.0 111.202 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.2 13.92 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.032 -0.604 . . . . 15.0 114.164 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -105.56 133.69 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.8 m -121.62 95.83 4.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.537 -0.301 . . . . 15.0 110.787 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -98.96 138.63 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.484 -0.561 . . . . 15.0 109.484 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 65.6 m-85 -103.16 116.54 32.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.976 -176.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -93.67 118.7 31.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.433 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 50.4 t-20 -89.98 115.43 27.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 176.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -74.74 -17.04 60.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.767 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -89.98 -16.8 29.12 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.437 . . . . 15.0 110.307 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.437 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.2 p -111.68 -16.7 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.861 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.4 mt 66.93 20.62 10.49 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.127 -175.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -105.26 134.9 47.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.692 -0.686 . . . . 15.0 111.79 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 p -93.39 115.1 27.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.776 . . . . 15.0 109.854 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.469 ' CD1' ' HZ3' ' A' ' 435' ' ' TRP . 74.6 m-85 -97.3 112.96 24.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.154 0.502 . . . . 15.0 111.31 -177.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -88.28 1.19 55.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.284 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -123.58 130.65 52.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.742 -1.117 . . . . 15.0 108.143 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.587 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 37.4 mtmm -64.3 119.04 52.76 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 15.0 111.392 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.93 148.92 65.04 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.137 2.558 . . . . 15.0 112.004 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -69.63 -14.13 62.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.187 0.518 . . . . 15.0 110.044 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.17 -20.24 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.118 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 49.2 tp -84.9 -29.8 24.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.84 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.333 -0.842 . . . . 15.0 109.941 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.431 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 74.4 m95 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.887 0.375 . . . . 15.0 110.414 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.3 m -129.95 117.38 20.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.514 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 123.71 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 15.0 111.099 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -104.98 122.13 45.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.809 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.485 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.3 tppp? -105.75 119.96 40.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.183 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 65.5 p -90.54 150.07 21.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.471 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.81 -29.91 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 15.0 111.589 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 444' ' ' LYS . 3.1 p30 -74.94 -6.43 49.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.71 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 39.54 6.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.803 -0.713 . . . . 15.0 113.911 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.48 ' HG3' ' OD1' ' A' ' 442' ' ' ASP . 34.5 mtmm -117.27 146.33 43.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 171.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.485 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 1.8 m -125.68 113.38 17.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.534 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -116.73 124.32 49.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.398 0.618 . . . . 15.0 110.173 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -93.39 114.89 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.572 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.405 ' HD2' ' OD1' ' A' ' 450' ' ' ASN . 35.0 t80 -91.48 128.26 37.25 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.066 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -89.98 105.87 18.1 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.576 -0.898 . . . . 15.0 108.576 175.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.405 ' OD1' ' HD2' ' A' ' 448' ' ' TYR . 81.1 m-20 -74.22 -13.3 60.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.158 -175.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -89.66 -18.89 25.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.037 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.8 m -135.75 -4.5 2.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.72 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.3 mt 68.96 29.78 4.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.031 0.532 . . . . 15.0 111.352 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -107.52 127.09 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.401 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -90.09 123.11 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.598 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -111.71 128.22 56.02 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.061 -0.348 . . . . 15.0 110.061 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -87.43 -0.96 57.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.316 0.579 . . . . 15.0 110.598 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -129.18 134.77 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.308 173.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 32.6 ttmt -67.24 127.89 93.6 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.501 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 18.2 Cg_endo -59.73 133.64 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.45 2.1 . . . . 15.0 110.326 169.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.1 -4.89 23.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.24 0.543 . . . . 15.0 110.746 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.79 -27.31 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.912 172.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.43 -29.99 15.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.39 -0.823 . . . . 15.0 110.93 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.388 -0.815 . . . . 15.0 111.552 179.252 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 97.3 m95 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.427 -0.582 . . . . 15.0 109.427 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.1 m -90.04 115.66 27.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.908 0.385 . . . . 15.0 110.36 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.79 125.9 35.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.426 . . . . 15.0 111.308 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -110.68 118.1 35.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.059 -0.519 . . . . 15.0 109.961 173.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -105.85 117.18 33.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.893 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.9 p -94.81 150.04 20.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.229 -0.286 . . . . 15.0 110.229 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.35 -29.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.69 -5.89 43.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.617 . . . . 15.0 111.805 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 29.91 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.003 -0.618 . . . . 15.0 113.811 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -109.82 110.8 21.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.171 0.485 . . . . 15.0 109.742 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.9 m -108.56 99.27 8.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.51 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -97.76 126.14 42.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.313 0.578 . . . . 15.0 110.512 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -95.26 118.47 32.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.851 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.89 122.09 37.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 26.5 t-20 -89.98 115.67 27.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 0.57 43.52 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.985 0.365 . . . . 15.0 111.985 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 7.8 mmp_? -89.34 -34.64 16.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.831 0.348 . . . . 15.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -117.68 -3.45 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.107 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 91.6 mt 66.69 26.66 9.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -95.79 133.32 40.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.183 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.6 t -100.66 119.05 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.046 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -110.95 119.3 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.778 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -82.16 1.79 34.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.283 0.563 . . . . 15.0 110.482 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.87 150.0 45.49 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.478 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -59.71 130.87 88.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.1 Cg_endo -64.26 158.62 47.64 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.004 2.47 . . . . 15.0 111.609 173.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.06 -22.22 66.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.994 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.42 -5.35 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 15.0 111.359 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 27.5 tp -95.59 -29.78 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.148 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.442 ' NZ ' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.888 0 O-C-N 123.889 0.743 . . . . 15.0 111.088 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.5 m95 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.875 -0.417 . . . . 15.0 109.875 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.8 m -118.16 110.81 18.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.044 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -92.12 126.45 37.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.288 0.566 . . . . 15.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.78 124.61 49.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.48 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -94.55 117.81 30.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.126 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.8 p -89.98 150.1 22.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.915 0.388 . . . . 15.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.29 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.125 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.36 2.03 38.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.586 0.232 . . . . 15.0 111.34 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.46 4.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.769 -0.729 . . . . 15.0 113.732 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -126.23 143.71 51.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.933 0.396 . . . . 15.0 109.968 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.0 m -127.95 97.1 4.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -98.18 132.41 43.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.349 0.595 . . . . 15.0 110.707 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -91.71 115.36 27.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -104.54 119.14 38.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.994 0.426 . . . . 15.0 110.277 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 27.0 t-20 -94.09 118.44 31.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.265 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -86.82 -2.24 58.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.071 0.463 . . . . 15.0 111.183 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.466 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 45.8 ttp180 -81.37 -38.21 26.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.589 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.2 p -120.66 -2.07 9.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.3 mt 69.81 26.22 4.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.25 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -95.72 130.55 42.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.548 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -99.62 124.61 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 15.0 110.735 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -119.79 128.04 53.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.444 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -85.71 -18.72 32.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.353 -0.61 . . . . 15.0 109.353 172.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -93.77 149.7 21.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.925 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -72.6 121.8 85.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.31 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.26 131.51 32.51 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.67 2.246 . . . . 15.0 111.681 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -83.12 -7.11 59.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 15.0 110.537 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -80.18 -4.48 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 15.0 110.172 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.9 tp -87.31 -30.07 21.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.123 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm . . . . . 0 C--O 1.253 1.259 0 CA-C-N 115.327 -0.851 . . . . 15.0 111.371 179.207 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 97.5 m95 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.653 0.263 . . . . 15.0 110.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.5 m -124.67 118.69 27.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.465 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -89.99 125.48 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.545 0.688 . . . . 15.0 111.976 -177.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.86 119.02 38.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.317 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -111.43 120.59 42.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.233 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 78.5 p -95.2 150.1 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 15.0 111.037 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.86 68.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.577 -0.738 . . . . 15.0 112.333 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.01 -0.36 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.269 . . . . 15.0 111.225 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 53.88 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 15.0 113.586 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.451 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 53.1 mttp -126.67 129.64 48.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 172.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.4 m -122.99 114.84 20.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.952 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -133.3 127.7 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.495 0.664 . . . . 15.0 110.605 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 94.0 m-85 -90.48 115.38 27.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.002 -0.999 . . . . 15.0 110.351 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -90.06 119.44 30.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.826 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -90.02 114.81 26.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.09 -12.56 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.943 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -83.61 -38.49 21.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 15.0 110.756 -176.032 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -110.94 -5.13 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.265 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.3 mt 67.36 22.2 9.55 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.641 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 454' ' ' GLU . 6.8 mm-40 -101.33 138.33 38.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.422 -173.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.2 m -100.95 115.46 30.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.811 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.79 119.26 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.256 -0.429 . . . . 15.0 109.934 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -76.61 -10.1 59.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.357 0.598 . . . . 15.0 110.117 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 132.57 54.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.28 -0.873 . . . . 15.0 108.904 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.4 ptpp? -77.4 130.44 74.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.042 0.449 . . . . 15.0 110.717 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.55 146.54 55.58 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.625 2.216 . . . . 15.0 111.6 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.35 -7.15 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 15.0 109.91 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.15 -20.28 60.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.336 -0.847 . . . . 15.0 109.966 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.23 -45.16 5.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.739 -0.664 . . . . 15.0 110.154 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.928 0.767 . . . . 15.0 111.543 176.21 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.073 -0.714 . . . . 15.0 109.073 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.37 114.61 28.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.495 -0.32 . . . . 15.0 110.314 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.77 132.64 37.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 15.0 110.676 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -111.86 128.24 56.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.485 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.605 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -105.34 123.61 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.597 -174.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 36.2 p -90.06 150.21 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 15.0 109.097 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.92 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 -2.37 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 15.0 111.434 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 37.9 6.57 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.948 -0.644 . . . . 15.0 113.763 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.442 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 49.5 mttp -105.04 131.29 52.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 171.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.0 m -124.42 108.41 12.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.824 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -103.99 129.44 51.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.197 0.522 . . . . 15.0 109.646 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.64 116.85 28.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.608 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -98.81 119.85 38.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 15.0 110.125 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 24.9 t-20 -90.05 113.19 24.85 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.082 -0.71 . . . . 15.0 109.082 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.18 -7.08 54.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 15.0 112.073 -172.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.429 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 53.1 ttp180 -78.78 -53.88 6.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.871 0.367 . . . . 15.0 110.491 178.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 m -102.18 -5.06 24.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.114 -176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.3 mt 68.01 29.94 6.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.213 0.53 . . . . 15.0 110.661 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.38 137.42 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 15.0 111.418 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.0 t -104.59 115.69 30.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 15.0 110.058 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -107.68 115.99 31.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.856 0.36 . . . . 15.0 111.271 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -84.62 4.33 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 15.0 110.62 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -148.9 146.23 27.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.413 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 459' ' ' LYS . 33.3 ttmt -69.32 121.58 82.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 113.045 0.757 . . . . 15.0 113.045 -170.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -80.71 155.25 20.75 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.353 2.702 . . . . 15.0 111.625 171.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -71.77 -14.13 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 15.0 110.805 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.27 -20.44 61.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.263 0.554 . . . . 15.0 109.733 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.5 tp -94.87 -66.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.631 -0.713 . . . . 15.0 110.392 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.6 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.4 -0.809 . . . . 15.0 111.081 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.452 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.6 m95 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.836 0.35 . . . . 15.0 110.457 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -126.22 125.66 42.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.457 . . . . 15.0 110.461 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.768 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.3 pt-20 -100.97 128.85 46.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 15.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.72 117.67 34.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.991 0.424 . . . . 15.0 110.832 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 121.56 33.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.108 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.1 p -89.97 150.22 22.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.76 64.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.981 0.419 . . . . 15.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.25 -5.6 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.947 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 37.46 6.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.929 -0.653 . . . . 15.0 113.682 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -126.43 128.38 46.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.746 -0.464 . . . . 15.0 109.746 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.0 m -115.26 125.63 53.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.875 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -120.49 131.84 54.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.523 0.678 . . . . 15.0 110.545 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.768 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 65.6 m-85 -90.5 124.81 35.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.248 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -104.31 115.96 31.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.161 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 24.1 t-20 -98.99 117.64 33.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.749 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -73.95 -31.78 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 15.0 111.442 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 6.1 tpm_? -64.04 -38.67 91.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.194 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 m -121.79 0.97 9.9 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.981 -0.287 . . . . 15.0 111.145 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.6 mt 63.81 26.21 14.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.067 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -95.98 144.61 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.934 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.639 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 t -123.34 131.95 53.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.57 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -125.65 130.97 52.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -79.83 5.15 14.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.242 0.544 . . . . 15.0 110.655 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -127.18 143.65 51.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.212 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 125.22 91.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.444 . . . . 15.0 111.051 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.91 142.22 87.44 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.652 2.234 . . . . 15.0 111.058 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.01 -22.66 67.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.898 0.38 . . . . 15.0 110.044 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -63.87 -15.01 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.916 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.0 tp -94.93 -29.68 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.297 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 8.1 tmtm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.253 -0.88 . . . . 15.0 110.099 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.453 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 87.7 m95 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.0 m -92.02 119.6 31.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.014 0.435 . . . . 15.0 110.564 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.455 ' HG2' ' H ' ' A' ' 437' ' ' GLU . 6.7 pt-20 -89.94 112.23 23.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 15.0 110.61 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 445' ' ' THR . 56.3 m-85 -103.48 121.92 43.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.643 -177.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 117.83 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.485 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.5 p -89.96 150.35 22.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.268 -0.423 . . . . 15.0 110.567 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.95 -29.95 63.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.966 0.413 . . . . 15.0 111.313 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -3.93 39.41 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.781 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.88 30.09 13.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.013 -0.613 . . . . 15.0 113.868 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 53.3 mtpt -111.05 125.58 53.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.391 -0.476 . . . . 15.0 109.974 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 24.7 m -117.16 125.2 50.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.451 -0.34 . . . . 15.0 111.222 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 36.0 p90 -140.09 150.05 43.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.404 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -104.28 121.6 43.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.426 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -101.01 120.03 39.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.332 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -90.02 116.29 27.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.287 -0.634 . . . . 15.0 109.287 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -82.94 -11.11 58.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 15.0 111.241 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 451' ' ' ARG . 1.3 tpm_? -84.23 -31.32 25.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.306 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.4 p -116.8 -10.03 11.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.329 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.9 mt 68.38 26.78 6.62 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.213 0.605 . . . . 15.0 110.941 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -107.08 140.23 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.313 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.2 m -108.32 119.76 40.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.854 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.6 133.06 56.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.554 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.55 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 82.8 m95 -88.99 -11.53 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.233 0.54 . . . . 15.0 110.155 175.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -109.34 140.81 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.16 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -60.23 122.15 64.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.147 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.721 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 40.4 Cg_endo -67.51 150.79 80.34 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.641 2.228 . . . . 15.0 111.55 175.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.9 -9.55 52.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.539 . . . . 15.0 110.58 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.85 -6.97 53.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 15.0 109.969 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.721 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 29.2 tp -94.01 -30.06 14.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.846 -175.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.813 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.627 -0.702 . . . . 15.0 110.564 -177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.019 -0.432 . . . . 15.0 112.019 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 70.22 14.29 7.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.949 0.5 . . . . 15.0 111.293 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.2 t -160.66 177.28 10.64 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.063 -0.717 . . . . 15.0 109.063 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.19 35.12 15.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.155 0.503 . . . . 15.0 110.779 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.9 t -74.04 82.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.498 0.666 . . . . 15.0 109.969 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 32.5 t -165.91 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.285 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.495 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 12.1 tp10 -78.73 -19.29 52.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.388 -0.823 . . . . 15.0 110.732 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.521 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 95.4 m95 -102.42 106.07 16.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.709 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.6 m -106.6 131.46 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.881 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.13 121.67 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 15.0 110.542 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -108.31 121.98 46.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.963 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.614 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.1 tppp? -104.63 124.15 48.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.593 -177.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.4 p -90.06 150.14 22.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.231 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -55.78 -30.06 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -85.33 1.64 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 15.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.29 50.84 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.874 -0.679 . . . . 15.0 113.723 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -125.99 131.53 52.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.973 -0.38 . . . . 15.0 109.973 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.614 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 9.7 m -111.48 125.49 53.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.096 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -138.1 140.99 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 15.0 110.114 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -97.05 120.62 37.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.479 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -99.3 117.64 34.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 15.0 109.444 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.495 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 25.7 t-20 -105.32 115.07 29.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.168 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.69 -27.04 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.064 0.459 . . . . 15.0 110.328 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 55.2 ttp180 -53.64 -47.6 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.512 -0.767 . . . . 15.0 111.136 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.85 -8.56 14.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.118 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 82.4 mt 67.42 24.78 8.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.721 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -102.05 136.0 42.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.737 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.9 m -108.91 122.22 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.577 . . . . 15.0 110.163 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.96 129.5 55.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.394 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -86.19 0.43 53.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.512 . . . . 15.0 110.329 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.88 150.07 51.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.262 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' A' ' 459' ' ' LYS . 31.0 mttp -60.07 126.97 85.15 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.569 -0.741 . . . . 15.0 111.873 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.521 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 44.1 Cg_endo -67.04 147.86 80.56 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.021 2.48 . . . . 15.0 111.403 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -67.71 -12.65 60.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 15.0 110.842 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.543 ' HA ' ' HA3' ' A' ' 428' ' ' GLY . 53.3 mt-10 -68.29 -23.49 64.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.61 174.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 57.4 tp -90.35 -47.4 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.73 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.602 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.175 0 O-C-N 123.81 0.694 . . . . 15.0 109.852 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.477 -0.649 . . . . 15.0 111.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.58 81.16 4.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.021 0.438 . . . . 15.0 111.388 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.3 p -126.52 13.24 7.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.798 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -126.59 149.66 49.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.59 . . . . 15.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.69 -37.58 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.695 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.6 t -100.67 178.56 4.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.016 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.804 ' HG2' ' HE ' ' A' ' 451' ' ' ARG . 15.4 mm-40 -94.78 94.63 8.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.321 . . . . 15.0 110.727 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.463 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 93.7 m95 -131.62 111.14 11.45 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.372 0.606 . . . . 15.0 110.801 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 79.4 m -108.44 128.64 54.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.482 -0.781 . . . . 15.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.8 140.44 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -121.85 112.85 18.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 15.0 110.096 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.611 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -89.86 115.11 26.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.151 -0.931 . . . . 15.0 110.495 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.7 p -94.07 150.29 20.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.358 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.18 -29.78 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.896 0.379 . . . . 15.0 111.189 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.28 0.63 15.98 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.484 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.62 30.15 33.66 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.093 -0.575 . . . . 15.0 113.57 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -118.82 106.78 12.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.302 0.572 . . . . 15.0 110.831 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.8 m -92.16 104.53 16.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.369 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -100.36 135.77 41.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.513 -0.551 . . . . 15.0 109.513 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -98.62 116.14 30.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.602 -0.727 . . . . 15.0 109.874 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -99.79 125.51 45.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.223 -176.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 44.9 t-20 -89.81 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.04 -14.77 59.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.463 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.804 ' HE ' ' HG2' ' A' ' 434' ' ' GLU . 14.8 ttm180 -88.08 -34.94 17.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.896 0.379 . . . . 15.0 110.522 -175.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 66.1 p -112.15 -2.31 15.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.367 -0.379 . . . . 15.0 111.359 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.2 mt 63.9 26.87 14.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.883 -0.599 . . . . 15.0 111.134 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -100.17 128.65 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.008 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.6 t -97.87 119.57 36.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.19 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -114.96 125.62 53.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.393 -0.367 . . . . 15.0 111.079 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -86.38 -2.45 58.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.192 0.52 . . . . 15.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 149.93 48.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.614 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -59.99 126.0 82.37 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.289 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.519 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 73.4 Cg_endo -76.03 147.11 29.84 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.821 2.347 . . . . 15.0 111.977 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.5 -15.16 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.775 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.47 -20.33 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.826 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.519 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 47.0 tp -82.53 -30.09 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.945 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.78 -0.629 . . . . 15.0 110.305 -176.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.565 -0.614 . . . . 15.0 111.565 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -72.23 144.56 48.41 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.339 -0.245 . . . . 15.0 110.339 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.5 p -82.62 24.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.023 0.379 . . . . 15.0 112.023 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.37 93.32 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.8 t -84.38 77.8 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.523 0.677 . . . . 15.0 111.47 -172.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.8 m -104.9 3.04 30.47 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.471 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.598 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 5.5 mm-40 -79.65 -21.75 44.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.967 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 82.3 m95 -111.39 116.0 30.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.74 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -121.03 116.17 24.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.595 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.98 124.97 35.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.988 0.423 . . . . 15.0 110.76 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -109.22 114.47 28.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.237 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 124.32 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.9 p -89.85 150.15 22.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.193 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.89 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.94 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -84.43 4.65 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.574 -0.284 . . . . 15.0 111.496 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.69 43.77 5.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 15.0 113.912 170.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -130.8 129.2 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.2 m -119.06 113.39 20.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.712 0.291 . . . . 15.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -102.02 129.16 48.26 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.05 114.8 26.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.928 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -99.03 120.47 39.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.473 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.605 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 22.4 t-20 -89.93 112.0 23.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.25 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -76.34 -4.74 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.687 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.598 ' HD2' ' OE2' ' A' ' 434' ' ' GLU . 1.7 tpm_? -84.96 -38.84 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.929 0.395 . . . . 15.0 110.64 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.6 m -122.84 1.35 9.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.709 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 62.5 mt 65.64 30.15 10.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.273 0.558 . . . . 15.0 110.878 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -93.8 138.71 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.978 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.3 t -111.56 117.81 34.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.383 . . . . 15.0 110.47 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -111.89 138.86 47.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 15.0 109.981 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -87.35 -2.73 58.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.122 0.487 . . . . 15.0 110.511 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -116.07 142.21 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.574 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.41 122.25 87.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.794 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.692 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 33.7 Cg_endo -61.83 147.14 95.89 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.068 2.512 . . . . 15.0 111.447 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -88.27 -8.11 55.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -170.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.692 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -87.98 -10.99 48.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 15.0 110.152 175.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.4 -29.86 33.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.716 171.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 10.3 ptmm? . . . . . 0 C--O 1.253 1.244 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.902 -0.479 . . . . 15.0 111.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -158.27 142.0 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.671 0.272 . . . . 15.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.3 t -102.49 156.78 17.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 15.0 109.527 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 69.95 165.58 0.27 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.336 0.654 . . . . 15.0 111.063 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.604 ' HA ' HD13 ' A' ' 463' ' ' LEU . 94.2 t 68.79 -66.95 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.996 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.0 t -82.39 -11.95 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 15.0 111.369 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -95.35 -0.94 52.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 15.0 111.13 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.409 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.9 m95 -98.67 107.66 20.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.009 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.9 m -93.72 111.24 22.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.475 -0.33 . . . . 15.0 110.138 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -89.91 138.05 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.517 -178.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -115.2 116.13 27.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.552 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.12 112.95 25.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.25 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 32.8 p -89.83 150.11 22.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.693 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.36 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.782 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.23 -2.47 31.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 15.0 111.774 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.28 31.92 10.15 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.891 -0.671 . . . . 15.0 113.803 173.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.411 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 68.3 mttm -108.95 135.39 50.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.996 0.398 . . . . 15.0 110.103 175.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -117.87 96.36 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -100.61 136.33 40.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 15.0 110.085 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -104.11 126.59 51.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.581 -0.736 . . . . 15.0 111.149 -172.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -106.74 123.92 48.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.836 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.2 t-20 -91.82 114.92 27.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.476 -0.564 . . . . 15.0 109.476 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -75.1 -15.52 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 15.0 112.352 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 451' ' ' ARG . 44.3 ttm105 -89.99 -43.19 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.379 . . . . 15.0 111.018 -177.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.0 m -89.32 -13.37 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.446 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.4 mt 68.77 30.06 4.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.866 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -109.64 133.1 53.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.243 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 p -104.77 121.0 42.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.674 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.39 125.57 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.593 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.92 5.34 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.239 0.542 . . . . 15.0 110.065 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.96 146.92 48.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.184 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.97 118.12 70.21 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 15.0 111.518 -174.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 145.94 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.145 2.563 . . . . 15.0 112.57 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -78.03 -8.67 58.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.395 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.91 14.14 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.979 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.604 HD13 ' HA ' ' A' ' 432' ' ' VAL . 58.0 tp -143.55 -53.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.031 -0.985 . . . . 15.0 109.989 -177.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.576 -0.61 . . . . 15.0 111.576 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.76 123.67 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 15.0 111.31 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.9 p -91.71 103.09 15.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.292 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -62.61 124.8 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.044 0.45 . . . . 15.0 111.75 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.37 2.94 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.914 0.864 . . . . 15.0 109.451 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.1 m -77.72 82.89 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.155 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.602 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.3 tp10 -94.71 -5.28 45.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.845 0.831 . . . . 15.0 109.276 173.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -98.54 113.78 25.94 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.048 -0.978 . . . . 15.0 110.088 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 30.6 m -104.39 116.86 32.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.024 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.85 132.34 35.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -107.54 111.48 23.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.93 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.408 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -97.14 122.51 40.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.951 -1.022 . . . . 15.0 110.47 -177.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.2 p -89.83 150.4 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.52 -30.05 62.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.116 0.484 . . . . 15.0 110.98 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.11 0.75 23.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.658 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.52 29.94 20.26 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.971 -0.633 . . . . 15.0 114.254 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -106.88 132.14 53.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.425 0.612 . . . . 15.0 109.446 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 m -124.82 110.66 14.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 15.0 111.299 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -108.25 126.94 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.74 115.86 28.41 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.525 -0.762 . . . . 15.0 110.359 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -105.61 118.13 35.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.337 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 26.7 t-20 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 15.0 109.381 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.88 -12.43 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.781 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.602 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 37.7 ttp180 -74.66 -50.82 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 15.0 110.965 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 11.09 13.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.941 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 84.3 mt 63.13 30.1 16.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.086 -0.506 . . . . 15.0 111.868 174.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -90.03 132.33 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.953 -175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -107.08 118.0 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.111 0.481 . . . . 15.0 110.718 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -116.31 127.79 55.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.615 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -87.42 -19.46 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.235 0.541 . . . . 15.0 110.478 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -111.21 145.57 38.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.776 -0.647 . . . . 15.0 109.657 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -64.52 116.79 31.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.369 -0.832 . . . . 15.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.436 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 60.3 Cg_endo -74.05 152.28 45.67 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.664 2.243 . . . . 15.0 111.85 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.25 -17.54 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.159 0.504 . . . . 15.0 110.467 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -72.97 -17.56 61.46 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.222 0.534 . . . . 15.0 110.198 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.436 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 66.4 tp -87.96 -29.84 20.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.394 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.34 -0.838 . . . . 15.0 110.483 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.939 -0.464 . . . . 15.0 111.939 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.57 -10.93 35.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 15.0 110.73 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 30.8 m -64.25 113.93 3.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.513 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -105.69 135.19 47.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.092 -0.336 . . . . 15.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.67 HG23 ' HG2' ' A' ' 434' ' ' GLU . 4.4 p -67.39 114.1 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.314 0.578 . . . . 15.0 110.882 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.8 p -126.79 15.82 7.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.487 0.66 . . . . 15.0 109.529 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.67 ' HG2' HG23 ' A' ' 432' ' ' VAL . 0.6 OUTLIER -68.33 -18.18 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.555 -178.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -90.11 118.91 30.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.724 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.3 m -123.19 126.99 48.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.461 -0.336 . . . . 15.0 110.727 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 9.9 pt-20 -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.293 0.568 . . . . 15.0 110.761 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -93.29 121.4 34.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.558 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -105.14 118.64 37.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.338 -0.846 . . . . 15.0 110.188 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.491 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 79.7 p -98.16 150.08 21.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.663 0.268 . . . . 15.0 110.682 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.96 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.043 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -79.86 0.4 31.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.5 -0.318 . . . . 15.0 110.976 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 61.32 1.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.871 -0.681 . . . . 15.0 113.494 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.491 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 55.6 mttp -134.07 143.83 48.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.044 0.45 . . . . 15.0 110.404 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -130.2 104.6 7.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.429 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 40.2 p90 -117.4 128.38 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.276 0.56 . . . . 15.0 110.451 176.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.625 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 73.8 m-85 -89.88 112.0 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.304 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -109.41 116.17 31.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.289 -0.869 . . . . 15.0 110.132 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 47.5 t-20 -90.31 114.99 27.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.083 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.89 -16.56 62.7 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.537 0.523 . . . . 15.0 111.656 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -89.77 -39.4 13.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.978 -174.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 30.0 p -102.89 -5.1 23.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.53 -0.304 . . . . 15.0 111.187 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 26.2 mt 65.76 24.32 11.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.705 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -99.82 129.55 45.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.425 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.34 114.93 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.435 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -124.21 126.71 46.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.279 -0.267 . . . . 15.0 110.279 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 83.0 m95 -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.108 0.48 . . . . 15.0 110.343 176.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.41 142.13 36.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.896 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 58.9 mttp -60.15 120.13 48.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 123.212 0.32 . . . . 15.0 110.893 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 37.4 Cg_endo -66.7 148.1 82.46 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.648 2.232 . . . . 15.0 111.431 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -67.65 -12.14 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.178 0.513 . . . . 15.0 110.486 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.33 -28.4 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.145 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 59.7 tp -95.58 -44.52 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.9 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 463' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 O-C-N 124.705 1.253 . . . . 15.0 112.397 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.772 -0.531 . . . . 15.0 111.772 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -87.25 84.42 7.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.078 0.466 . . . . 15.0 110.814 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.4 t -71.94 -16.64 62.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 15.0 110.184 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -113.13 103.8 11.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.759 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.19 89.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 15.0 110.65 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -141.47 -31.29 0.58 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.478 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.48 -9.23 58.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.044 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.3 m95 -89.86 107.33 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 176.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 m -116.14 120.19 38.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.589 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.664 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.0 pt-20 -91.67 136.14 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.099 0.476 . . . . 15.0 111.232 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -120.6 124.86 46.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.642 -0.708 . . . . 15.0 109.638 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.5 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -91.25 121.29 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.194 -178.532 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.96 150.21 22.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.718 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.35 -29.92 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.6 0.592 . . . . 15.0 112.6 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -82.99 5.42 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 15.0 111.25 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.36 51.19 3.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.061 -0.59 . . . . 15.0 113.336 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -136.32 146.42 46.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.379 . . . . 15.0 110.013 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 m -124.19 113.75 18.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.894 -176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -112.76 132.75 55.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 15.0 110.161 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 64.8 m-85 -93.62 115.56 28.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.21 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -90.05 120.72 31.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.985 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 25.6 t-20 -90.1 115.56 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -75.55 -5.1 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.831 0.678 . . . . 15.0 112.831 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -82.05 -61.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 15.0 110.258 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.7 m -94.33 -1.19 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.119 -0.492 . . . . 15.0 110.661 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.45 29.34 9.24 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.478 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -91.66 124.58 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.218 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -92.64 109.11 20.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.182 0.515 . . . . 15.0 110.308 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -96.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.136 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.58 -10.01 59.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.449 0.642 . . . . 15.0 109.784 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 140.36 49.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.997 -1.001 . . . . 15.0 109.035 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 57.8 mtpt -68.65 120.34 74.96 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.2 0.445 . . . . 15.0 112.2 -173.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.862 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -66.27 146.33 80.71 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.172 2.581 . . . . 15.0 111.93 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -23.9 65.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.748 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.38 -1.98 58.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.971 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.862 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 53.9 tp -82.34 -30.1 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 15.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.305 -0.855 . . . . 15.0 110.661 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.316 -0.314 . . . . 15.0 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.92 105.53 17.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 15.0 110.238 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.3 t -102.13 -4.58 25.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.713 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.41 110.48 0.05 OUTLIER 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.902 0.751 . . . . 15.0 111.369 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.4 m -83.0 91.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.842 0.829 . . . . 15.0 110.946 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.9 t -101.05 14.76 30.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.497 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.436 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 9.6 mm-40 -76.67 -3.41 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.354 -0.839 . . . . 15.0 110.839 -175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.524 ' HB2' HD13 ' A' ' 463' ' ' LEU . 89.1 m95 -98.65 119.12 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.326 -175.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 33.3 m -111.71 115.07 28.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.9 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 2.5 pt-20 -91.05 132.69 35.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.183 0.516 . . . . 15.0 110.639 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -109.14 107.75 18.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.801 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.8 115.79 27.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.502 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.3 p -89.87 149.97 22.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.765 0.316 . . . . 15.0 111.219 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.521 . . . . 15.0 111.564 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.56 -0.28 19.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.711 0.291 . . . . 15.0 111.114 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 41.79 5.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.93 -0.653 . . . . 15.0 113.785 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -133.93 173.92 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.4 m -149.13 113.63 5.3 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.191 -0.204 . . . . 15.0 110.971 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -101.76 125.68 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.357 -0.609 . . . . 15.0 109.357 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.621 ' CZ ' ' HB3' ' A' ' 459' ' ' LYS . 84.8 m-85 -93.37 117.75 30.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.285 -0.87 . . . . 15.0 110.528 -174.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -92.14 120.35 32.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.824 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.832 ' HB2' ' HE2' ' A' ' 456' ' ' TYR . 49.2 t-20 -89.95 109.69 20.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.889 -0.782 . . . . 15.0 108.889 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -72.92 -13.49 61.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.627 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.533 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 2.9 mmp_? -89.97 -30.27 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.645 0.239 . . . . 15.0 111.645 -176.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.7 p -118.59 -3.13 10.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.91 0.337 . . . . 15.0 111.91 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.8 mt 65.7 30.08 10.47 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.098 0.475 . . . . 15.0 110.458 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -110.89 131.12 55.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.319 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.4 m -98.48 116.54 30.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.12 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.832 ' HE2' ' HB2' ' A' ' 449' ' ' ASN . 43.4 m-85 -101.93 142.44 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.218 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -90.07 -12.11 39.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.25 0.547 . . . . 15.0 110.404 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.85 134.59 52.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.73 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.621 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 13.4 ptmm? -84.34 131.79 49.4 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 15.0 111.051 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.677 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 35.2 Cg_endo -63.13 152.09 81.44 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.915 2.41 . . . . 15.0 111.624 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -81.56 -18.01 46.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.541 0.571 . . . . 15.0 112.541 -172.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.677 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -85.94 -9.14 57.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.906 -0.497 . . . . 15.0 110.596 178.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 435' ' ' TRP . 47.6 tp -71.23 -29.81 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.16 171.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 15.0 109.807 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 461' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.254 -0.338 . . . . 15.0 112.254 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -165.31 172.27 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.6 p -75.15 -70.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 15.0 110.616 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -168.26 92.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.067 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.527 HG22 ' H ' ' A' ' 434' ' ' GLU . 10.3 p -72.73 135.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.773 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -68.37 -1.25 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.373 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.533 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 36.5 mt-10 -89.77 -11.0 43.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.755 0.312 . . . . 15.0 111.182 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.482 ' CE2' ' HG3' ' A' ' 460' ' ' PRO . 61.5 m95 -108.27 110.19 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.025 0.441 . . . . 15.0 110.44 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.1 m -108.32 137.75 45.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.326 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.96 127.49 47.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 15.0 110.541 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 445' ' ' THR . 85.1 m-85 -116.72 115.52 25.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.992 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 124.0 46.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.993 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.1 p -90.01 150.46 22.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.101 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.84 -30.29 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.148 0.795 . . . . 15.0 113.148 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -87.94 3.81 47.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.65 0.262 . . . . 15.0 111.415 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 33.24 8.93 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.885 -0.674 . . . . 15.0 114.041 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.618 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 35.6 mtmm -110.51 128.01 55.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.404 0.602 . . . . 15.0 109.801 173.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 3.9 m -118.6 115.58 24.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.878 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -115.52 131.23 57.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.502 . . . . 15.0 110.017 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 455' ' ' SER . 94.8 m-85 -92.17 124.39 36.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -113.5 126.62 55.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.82 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 47.3 t-20 -118.69 131.58 56.15 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.882 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -83.22 -22.68 33.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.638 0.607 . . . . 15.0 112.638 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.512 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -88.09 -10.83 48.86 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.159 -0.616 . . . . 15.0 110.479 177.026 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.3 m -103.93 -25.23 13.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.904 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.9 mt 64.67 24.35 12.92 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.353 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -132.79 149.95 52.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.578 -170.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 15.7 m -118.06 124.59 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.1 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -116.22 142.29 47.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.618 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 73.4 m95 -88.29 -2.13 58.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.499 0.666 . . . . 15.0 109.685 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.56 149.84 35.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.067 -0.97 . . . . 15.0 109.478 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -74.14 129.87 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 15.0 111.051 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.482 ' HG3' ' CE2' ' A' ' 435' ' ' TRP . 71.6 Cg_endo -75.98 151.72 35.54 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.09 2.527 . . . . 15.0 111.969 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.465 ' O ' ' HA3' ' A' ' 428' ' ' GLY . 47.7 tp60 -69.34 -5.09 21.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.034 0.445 . . . . 15.0 110.819 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -85.1 -11.77 54.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.326 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.12 -30.39 12.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.941 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.243 0.723 0 CA-C-O 118.793 -0.622 . . . . 15.0 110.135 179.137 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.974 -0.45 . . . . 15.0 111.974 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -93.34 -57.03 2.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 117.024 0.412 . . . . 15.0 110.343 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 89.9 m 70.48 -59.53 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.529 0.518 . . . . 15.0 112.252 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -78.99 104.39 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.0 0.428 . . . . 15.0 111.313 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.7 m -133.0 123.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.973 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 65.9 m 59.17 74.83 0.43 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.617 0.722 . . . . 15.0 110.428 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 2.0 mp0 -90.24 98.46 11.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.382 -178.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.49 ' HB2' HD13 ' A' ' 463' ' ' LEU . 88.5 m95 -127.84 117.18 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.589 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 118.66 36.88 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.047 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.614 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 4.6 pt-20 -90.0 115.4 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 15.0 111.472 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.57 128.26 49.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.374 -0.83 . . . . 15.0 110.906 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -99.31 127.17 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.374 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 80.5 p -89.61 150.49 22.36 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.86 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.75 0.72 52.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.711 0.291 . . . . 15.0 111.505 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 39.97 5.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.927 -0.654 . . . . 15.0 114.124 173.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.582 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 57.8 mttp -112.84 139.76 48.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.644 -0.502 . . . . 15.0 109.644 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -119.51 115.87 24.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.788 -0.187 . . . . 15.0 110.638 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -116.24 132.96 56.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.309 0.576 . . . . 15.0 110.228 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 36.8 m-85 -96.53 114.64 26.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.809 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.67 118.19 36.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.468 -0.787 . . . . 15.0 110.46 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.9 t-20 -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.454 . . . . 15.0 109.954 176.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -73.95 -17.25 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.939 -173.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.483 ' HD2' ' OE2' ' A' ' 434' ' ' GLU . 2.1 tpm_? -77.76 -33.25 52.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 15.0 110.853 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.0 p -119.94 -2.87 10.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 15.0 111.673 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 89.1 mt 64.37 22.64 12.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.278 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.88 134.65 34.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.864 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -115.92 113.74 23.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.85 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.24 136.1 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.322 -0.251 . . . . 15.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.582 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 77.0 m95 -80.28 0.81 31.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.137 0.494 . . . . 15.0 110.368 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.06 144.06 50.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 15.0 109.777 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.653 ' HE2' HD23 ' A' ' 463' ' ' LEU . 29.1 ttmt -88.5 126.09 61.27 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.743 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.73 148.12 76.86 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.157 2.571 . . . . 15.0 111.716 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.419 ' O ' ' HE3' ' A' ' 464' ' ' LYS . 8.8 tp-100 -75.16 -5.03 42.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.848 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -19.37 22.69 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.71 -0.619 . . . . 15.0 111.395 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.653 HD23 ' HE2' ' A' ' 459' ' ' LYS . 62.3 tp -83.31 -52.42 6.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 15.0 110.351 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 459' ' ' LYS . 80.1 mttt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.692 -0.671 . . . . 15.0 111.045 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 112.14 -0.384 . . . . 15.0 112.14 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -98.94 82.27 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 15.0 110.407 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.0 t -172.02 159.01 4.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.419 -0.809 . . . . 15.0 109.651 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -78.96 -17.92 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 15.0 110.765 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.21 -36.62 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.835 -0.621 . . . . 15.0 111.18 -178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.9 p -79.62 -3.65 48.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.573 -0.285 . . . . 15.0 111.691 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.94 -3.54 55.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.172 0.51 . . . . 15.0 110.373 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.509 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 99.5 m95 -105.56 121.03 43.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.685 175.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 35.7 m -130.92 122.83 27.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.58 -0.282 . . . . 15.0 110.832 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 4.0 pt-20 -97.15 131.93 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.582 . . . . 15.0 111.324 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.9 108.18 20.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.186 171.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.42 116.57 28.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.034 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 35.0 p -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.2 -29.85 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 15.0 111.826 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.64 6.05 25.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.855 0.359 . . . . 15.0 111.465 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.36 35.93 7.25 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.811 -0.709 . . . . 15.0 114.343 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.23 129.03 56.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.132 0.466 . . . . 15.0 110.077 173.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 47.5 m -127.06 120.95 30.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.649 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -127.54 130.59 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.216 0.532 . . . . 15.0 110.413 174.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -89.98 115.53 27.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.89 . . . . 15.0 110.665 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -92.35 123.3 35.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.018 -0.992 . . . . 15.0 110.223 -177.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -89.8 112.45 23.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.798 -0.815 . . . . 15.0 108.798 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -79.78 -9.17 59.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 15.0 111.334 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -90.36 -19.42 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.616 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -129.17 -8.53 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.503 -0.317 . . . . 15.0 111.446 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.5 mt 66.63 26.77 9.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.72 134.96 51.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.568 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.4 m -99.57 123.95 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.557 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.45 128.11 55.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.007 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -77.93 -3.89 44.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 15.0 110.848 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 136.42 54.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.914 -0.772 . . . . 15.0 108.914 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.68 129.48 85.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.209 0.528 . . . . 15.0 111.362 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.509 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 56.5 Cg_endo -68.45 150.0 75.21 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.07 2.513 . . . . 15.0 112.517 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -68.97 -7.74 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.449 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.69 -11.82 56.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.79 -0.641 . . . . 15.0 110.925 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 435' ' ' TRP . 51.3 tp -117.07 -54.79 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.395 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.25 -0.881 . . . . 15.0 110.402 -174.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.773 -0.531 . . . . 15.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.4 108.97 20.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.876 0.369 . . . . 15.0 110.699 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.36 -15.7 20.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.374 0.607 . . . . 15.0 110.403 176.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -93.74 154.81 17.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.06 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.542 HG12 ' H ' ' A' ' 434' ' ' GLU . 25.7 t -96.23 134.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.287 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.5 t -83.87 14.39 4.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 15.0 110.643 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.542 ' H ' HG12 ' A' ' 432' ' ' VAL . 37.2 tt0 -76.06 -7.43 54.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.467 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.587 ' CE3' ' HG3' ' A' ' 460' ' ' PRO . 55.2 m95 -114.51 122.86 47.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.532 -0.758 . . . . 15.0 110.049 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 53.9 m -115.64 121.65 43.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.643 0.259 . . . . 15.0 110.707 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.672 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.9 pt-20 -97.16 133.52 41.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.324 0.583 . . . . 15.0 111.743 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.41 135.26 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.665 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 13.2 tppt? -106.03 122.48 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.268 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 82.1 p -89.95 150.27 22.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.441 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.37 -30.19 62.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 15.0 111.476 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.424 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 0.2 OUTLIER -74.8 -7.05 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.724 178.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.74 31.86 14.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.94 -0.648 . . . . 15.0 113.414 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.424 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 47.4 mtmt -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 m -107.25 120.32 41.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.952 -175.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -115.19 127.26 55.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.45 0.643 . . . . 15.0 110.78 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.672 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 84.3 m-85 -94.69 115.08 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.805 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -92.16 119.55 31.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.564 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 18.2 t-20 -102.33 123.16 45.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.273 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.84 -6.86 52.74 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.81 0.694 . . . . 15.0 112.33 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 78.5 ttt180 -88.65 -43.73 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.072 0.463 . . . . 15.0 111.081 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.454 HG22 ' OD1' ' A' ' 449' ' ' ASN . 9.9 t -106.84 -5.04 18.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.263 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 29.0 mt 65.93 30.18 9.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.776 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -116.12 149.36 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.438 -173.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.1 m -115.28 116.76 28.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.433 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -105.48 131.56 52.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.834 -0.432 . . . . 15.0 109.834 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -76.6 3.95 10.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.33 0.586 . . . . 15.0 110.691 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -122.21 143.05 49.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.818 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 5.9 mtpm? -61.16 121.26 61.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.08 -0.341 . . . . 15.0 110.08 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.622 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 9.4 Cg_endo -54.82 134.5 63.35 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.653 2.236 . . . . 15.0 111.419 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.7 -16.66 63.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.337 -175.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 -24.44 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.898 0.38 . . . . 15.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.622 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 63.0 tp -85.09 -30.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.04 -0.981 . . . . 15.0 111.109 173.519 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.918 -0.473 . . . . 15.0 111.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -114.8 -43.3 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.931 0.395 . . . . 15.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.3 t -152.05 -169.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.724 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 75.95 -37.2 0.3 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.861 0.864 . . . . 15.0 111.876 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.586 HG13 ' HD1' ' A' ' 435' ' ' TRP . 65.7 t -55.67 120.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 15.0 110.482 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.7 p -142.88 -8.97 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.037 0.446 . . . . 15.0 111.455 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.6 OUTLIER -105.71 -12.72 15.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.555 0.576 . . . . 15.0 112.555 -178.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.586 ' HD1' HG13 ' A' ' 432' ' ' VAL . 84.8 m95 -101.73 117.82 35.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 15.0 111.298 -174.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 22.4 m -108.81 130.8 55.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 15.0 109.935 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.71 134.21 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.998 0.428 . . . . 15.0 110.755 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.68 110.7 14.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 15.0 110.655 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -94.94 119.21 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.862 . . . . 15.0 109.552 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.6 p -89.97 150.08 22.29 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.98 37.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.512 0.56 . . . . 15.0 112.512 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -83.83 1.62 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 15.0 111.202 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.2 13.92 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.032 -0.604 . . . . 15.0 114.164 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -105.56 133.69 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.8 m -121.62 95.83 4.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.537 -0.301 . . . . 15.0 110.787 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -98.96 138.63 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.484 -0.561 . . . . 15.0 109.484 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 65.6 m-85 -103.16 116.54 32.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.976 -176.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -93.67 118.7 31.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.433 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 50.4 t-20 -89.98 115.43 27.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 176.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -74.74 -17.04 60.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.767 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -89.98 -16.8 29.12 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.437 . . . . 15.0 110.307 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.437 ' OG1' ' HB3' ' A' ' 449' ' ' ASN . 73.2 p -111.68 -16.7 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.861 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 72.4 mt 66.93 20.62 10.49 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.127 -175.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -105.26 134.9 47.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.692 -0.686 . . . . 15.0 111.79 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 p -93.39 115.1 27.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.492 -0.776 . . . . 15.0 109.854 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.469 ' CD1' ' HZ3' ' A' ' 435' ' ' TRP . 74.6 m-85 -97.3 112.96 24.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.154 0.502 . . . . 15.0 111.31 -177.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -88.28 1.19 55.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.284 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -123.58 130.65 52.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.742 -1.117 . . . . 15.0 108.143 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.587 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 37.4 mtmm -64.3 119.04 52.76 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 15.0 111.392 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.93 148.92 65.04 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.137 2.558 . . . . 15.0 112.004 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -69.63 -14.13 62.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.187 0.518 . . . . 15.0 110.044 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.17 -20.24 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.118 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 49.2 tp -84.9 -29.8 24.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.84 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.333 -0.842 . . . . 15.0 109.941 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.152 -0.379 . . . . 15.0 112.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -162.7 169.89 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.9 p -85.98 -4.47 59.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.998 0.428 . . . . 15.0 111.36 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -139.33 98.44 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.055 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.48 101.7 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.648 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.9 t -123.33 -5.1 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.112 0.482 . . . . 15.0 109.942 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.516 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 12.9 mp0 -92.8 -17.02 24.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.951 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.431 ' CZ3' ' HG3' ' A' ' 460' ' ' PRO . 74.4 m95 -120.29 119.48 33.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.414 -177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 32.3 m -129.95 117.38 20.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.514 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 123.71 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 15.0 111.099 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -104.98 122.13 45.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.809 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.485 ' HE2' ' OG1' ' A' ' 445' ' ' THR . 4.3 tppp? -105.75 119.96 40.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.183 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 65.5 p -90.54 150.07 21.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.471 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.81 -29.91 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 15.0 111.589 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 444' ' ' LYS . 3.1 p30 -74.94 -6.43 49.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.71 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 39.54 6.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.803 -0.713 . . . . 15.0 113.911 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.48 ' HG3' ' OD1' ' A' ' 442' ' ' ASP . 34.5 mtmm -117.27 146.33 43.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 171.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.485 ' OG1' ' HE2' ' A' ' 439' ' ' LYS . 1.8 m -125.68 113.38 17.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.534 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -116.73 124.32 49.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.398 0.618 . . . . 15.0 110.173 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -93.39 114.89 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.572 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.405 ' HD2' ' OD1' ' A' ' 450' ' ' ASN . 35.0 t80 -91.48 128.26 37.25 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.066 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 47.0 t-20 -89.98 105.87 18.1 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.576 -0.898 . . . . 15.0 108.576 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.405 ' OD1' ' HD2' ' A' ' 448' ' ' TYR . 81.1 m-20 -74.22 -13.3 60.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.158 -175.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.516 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 17.3 tpp180 -89.66 -18.89 25.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.037 -176.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.8 m -135.75 -4.5 2.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.72 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 83.3 mt 68.96 29.78 4.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.031 0.532 . . . . 15.0 111.352 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -107.52 127.09 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.401 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -90.09 123.11 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.644 -0.253 . . . . 15.0 110.598 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -111.71 128.22 56.02 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.061 -0.348 . . . . 15.0 110.061 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -87.43 -0.96 57.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.316 0.579 . . . . 15.0 110.598 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -129.18 134.77 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.308 173.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 32.6 ttmt -67.24 127.89 93.6 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.501 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 435' ' ' TRP . 18.2 Cg_endo -59.73 133.64 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.45 2.1 . . . . 15.0 110.326 169.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.1 -4.89 23.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.24 0.543 . . . . 15.0 110.746 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.79 -27.31 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.912 172.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.43 -29.99 15.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.39 -0.823 . . . . 15.0 110.93 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.388 -0.815 . . . . 15.0 111.552 179.252 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.338 -0.305 . . . . 15.0 112.338 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -117.64 130.82 56.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.706 -0.291 . . . . 15.0 110.553 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.4 p -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.09 0.471 . . . . 15.0 110.744 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -134.6 138.44 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.488 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.451 HG23 ' HD1' ' A' ' 435' ' ' TRP . 17.3 m -91.34 137.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.335 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.4 p -85.8 -0.54 55.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.927 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.527 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 32.0 mt-10 -78.97 -6.07 55.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.015 0.436 . . . . 15.0 110.981 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 97.3 m95 -104.62 107.17 17.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.825 -0.625 . . . . 15.0 109.427 172.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.1 m -90.04 115.66 27.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.908 0.385 . . . . 15.0 110.36 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.79 125.9 35.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.426 . . . . 15.0 111.308 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -110.68 118.1 35.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.059 -0.519 . . . . 15.0 109.961 173.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -105.85 117.18 33.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.893 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 78.9 p -94.81 150.04 20.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.229 -0.286 . . . . 15.0 110.229 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.35 -29.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.69 -5.89 43.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.617 . . . . 15.0 111.805 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 29.91 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.003 -0.618 . . . . 15.0 113.811 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -109.82 110.8 21.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.171 0.485 . . . . 15.0 109.742 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 7.9 m -108.56 99.27 8.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.51 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -97.76 126.14 42.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.313 0.578 . . . . 15.0 110.512 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -95.26 118.47 32.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.851 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -94.89 122.09 37.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.713 -0.676 . . . . 15.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 26.5 t-20 -89.98 115.67 27.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 0.57 43.52 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.985 0.365 . . . . 15.0 111.985 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 7.8 mmp_? -89.34 -34.64 16.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.831 0.348 . . . . 15.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -117.68 -3.45 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.107 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 91.6 mt 66.69 26.66 9.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -95.79 133.32 40.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.183 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.6 t -100.66 119.05 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.046 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -110.95 119.3 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.778 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -82.16 1.79 34.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.283 0.563 . . . . 15.0 110.482 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.87 150.0 45.49 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.478 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -59.71 130.87 88.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 31.1 Cg_endo -64.26 158.62 47.64 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.004 2.47 . . . . 15.0 111.609 173.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.06 -22.22 66.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.994 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.42 -5.35 58.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 15.0 111.359 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 27.5 tp -95.59 -29.78 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.148 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.442 ' NZ ' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.888 0 O-C-N 123.889 0.743 . . . . 15.0 111.088 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.127 -0.389 . . . . 15.0 112.127 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -154.8 113.12 3.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 15.0 110.425 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.8 t -150.59 19.58 0.82 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.325 0.583 . . . . 15.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -133.68 154.51 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.388 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 435' ' ' TRP . 10.9 p -147.72 136.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.462 . . . . 15.0 111.023 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 t -124.91 -14.98 6.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.628 . . . . 15.0 109.843 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.536 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 22.1 mt-10 -68.46 -23.33 64.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.224 0.535 . . . . 15.0 110.308 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 90.5 m95 -112.22 117.88 33.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.406 -0.815 . . . . 15.0 109.875 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.8 m -118.16 110.81 18.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.044 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -92.12 126.45 37.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.288 0.566 . . . . 15.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.78 124.61 49.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.48 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -94.55 117.81 30.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.126 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.8 p -89.98 150.1 22.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.915 0.388 . . . . 15.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.29 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.125 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.36 2.03 38.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.586 0.232 . . . . 15.0 111.34 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.46 4.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.769 -0.729 . . . . 15.0 113.732 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -126.23 143.71 51.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.933 0.396 . . . . 15.0 109.968 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 23.0 m -127.95 97.1 4.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -98.18 132.41 43.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.349 0.595 . . . . 15.0 110.707 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -91.71 115.36 27.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -104.54 119.14 38.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.994 0.426 . . . . 15.0 110.277 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 27.0 t-20 -94.09 118.44 31.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.265 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -86.82 -2.24 58.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.071 0.463 . . . . 15.0 111.183 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 45.8 ttp180 -81.37 -38.21 26.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.589 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.2 p -120.66 -2.07 9.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 74.3 mt 69.81 26.22 4.86 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.25 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -95.72 130.55 42.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.548 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -99.62 124.61 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 15.0 110.735 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -119.79 128.04 53.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.444 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -85.71 -18.72 32.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.353 -0.61 . . . . 15.0 109.353 172.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -93.77 149.7 21.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.925 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -72.6 121.8 85.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.073 -0.512 . . . . 15.0 110.31 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.26 131.51 32.51 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.67 2.246 . . . . 15.0 111.681 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -83.12 -7.11 59.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 15.0 110.537 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -80.18 -4.48 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 15.0 110.172 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.9 tp -87.31 -30.07 21.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.123 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm . . . . . 0 C--O 1.253 1.259 0 CA-C-N 115.327 -0.851 . . . . 15.0 111.371 179.207 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.784 -0.526 . . . . 15.0 111.784 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 58.14 66.76 1.04 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.166 0.508 . . . . 15.0 110.896 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.5 m -69.23 106.49 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 15.0 110.183 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -128.27 151.57 49.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 15.0 111.009 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.1 p -153.43 115.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.844 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.4 m -89.75 3.1 53.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.052 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.578 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 28.1 mm-40 -84.93 -15.08 45.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.221 -176.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -117.13 118.81 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.478 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.5 m -124.67 118.69 27.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.465 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -89.99 125.48 35.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.545 0.688 . . . . 15.0 111.976 -177.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.86 119.02 38.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.317 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -111.43 120.59 42.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.233 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 78.5 p -95.2 150.1 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 15.0 111.037 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.86 68.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.577 -0.738 . . . . 15.0 112.333 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.01 -0.36 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.269 . . . . 15.0 111.225 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 53.88 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 15.0 113.586 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.451 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 53.1 mttp -126.67 129.64 48.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 172.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.4 m -122.99 114.84 20.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.952 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -133.3 127.7 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.495 0.664 . . . . 15.0 110.605 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 94.0 m-85 -90.48 115.38 27.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.002 -0.999 . . . . 15.0 110.351 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -90.06 119.44 30.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.826 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -90.02 114.81 26.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.09 -12.56 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.943 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.578 ' HD2' ' OE1' ' A' ' 434' ' ' GLU . 0.4 OUTLIER -83.61 -38.49 21.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.962 0.411 . . . . 15.0 110.756 -176.032 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -110.94 -5.13 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.265 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.3 mt 67.36 22.2 9.55 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.641 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 454' ' ' GLU . 6.8 mm-40 -101.33 138.33 38.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.422 -173.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.2 m -100.95 115.46 30.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.811 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.79 119.26 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.256 -0.429 . . . . 15.0 109.934 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -76.61 -10.1 59.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.357 0.598 . . . . 15.0 110.117 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 132.57 54.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.28 -0.873 . . . . 15.0 108.904 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.4 ptpp? -77.4 130.44 74.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.042 0.449 . . . . 15.0 110.717 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.55 146.54 55.58 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.625 2.216 . . . . 15.0 111.6 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.35 -7.15 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 15.0 109.91 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.15 -20.28 60.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.336 -0.847 . . . . 15.0 109.966 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.23 -45.16 5.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.739 -0.664 . . . . 15.0 110.154 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.246 0.875 0 O-C-N 123.928 0.767 . . . . 15.0 111.543 176.21 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.629 -0.588 . . . . 15.0 111.629 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.71 -48.85 7.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.333 0.587 . . . . 15.0 109.745 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.7 p -109.2 -73.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.229 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 65.48 109.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.037 0.836 . . . . 15.0 111.359 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.471 HG11 ' NH1' ' A' ' 451' ' ' ARG . 4.7 p -140.47 105.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.634 0.73 . . . . 15.0 111.088 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.3 p -107.25 9.18 30.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.791 -0.64 . . . . 15.0 109.988 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.84 86.14 2.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.655 -176.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -130.3 114.37 15.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.057 -0.974 . . . . 15.0 109.073 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.37 114.61 28.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.495 -0.32 . . . . 15.0 110.314 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.77 132.64 37.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 15.0 110.676 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -111.86 128.24 56.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.485 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.605 ' HZ3' ' HB2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -105.34 123.61 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.597 -174.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 36.2 p -90.06 150.21 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 15.0 109.097 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.92 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.413 0.523 . . . . 15.0 112.413 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 -2.37 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 15.0 111.434 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 37.9 6.57 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.948 -0.644 . . . . 15.0 113.763 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.442 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 49.5 mttp -105.04 131.29 52.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 171.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 19.0 m -124.42 108.41 12.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.824 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -103.99 129.44 51.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.197 0.522 . . . . 15.0 109.646 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.64 116.85 28.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.608 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -98.81 119.85 38.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 15.0 110.125 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 24.9 t-20 -90.05 113.19 24.85 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.082 -0.71 . . . . 15.0 109.082 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.18 -7.08 54.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 15.0 112.073 -172.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.471 ' NH1' HG11 ' A' ' 432' ' ' VAL . 53.1 ttp180 -78.78 -53.88 6.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.871 0.367 . . . . 15.0 110.491 178.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 m -102.18 -5.06 24.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.114 -176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.3 mt 68.01 29.94 6.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.213 0.53 . . . . 15.0 110.661 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.38 137.42 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 15.0 111.418 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.0 t -104.59 115.69 30.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 15.0 110.058 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -107.68 115.99 31.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.856 0.36 . . . . 15.0 111.271 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -84.62 4.33 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 15.0 110.62 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -148.9 146.23 27.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.413 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 459' ' ' LYS . 33.3 ttmt -69.32 121.58 82.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 113.045 0.757 . . . . 15.0 113.045 -170.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -80.71 155.25 20.75 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.353 2.702 . . . . 15.0 111.625 171.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -71.77 -14.13 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 15.0 110.805 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.27 -20.44 61.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.263 0.554 . . . . 15.0 109.733 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.5 tp -94.87 -66.38 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.631 -0.713 . . . . 15.0 110.392 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.6 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.4 -0.809 . . . . 15.0 111.081 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 110.901 -0.879 . . . . 15.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 56.49 27.48 12.29 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.221 0.534 . . . . 15.0 110.469 -174.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.9 m -68.16 -44.08 76.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.64 -0.709 . . . . 15.0 111.148 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 51.2 78.51 0.11 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 123.647 0.592 . . . . 15.0 111.401 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 434' ' ' GLU . 11.8 p -134.78 135.11 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.719 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.3 m -84.26 -0.98 54.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 15.0 111.155 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.794 ' H ' HG22 ' A' ' 432' ' ' VAL . 8.1 tp10 -84.8 -7.36 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.078 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.452 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.6 m95 -134.94 113.32 11.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.457 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -126.22 125.66 42.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.457 . . . . 15.0 110.461 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.768 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.3 pt-20 -100.97 128.85 46.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 15.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.72 117.67 34.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.991 0.424 . . . . 15.0 110.832 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 121.56 33.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.108 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.1 p -89.97 150.22 22.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.76 64.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.981 0.419 . . . . 15.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.25 -5.6 45.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.947 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 37.46 6.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.929 -0.653 . . . . 15.0 113.682 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -126.43 128.38 46.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.746 -0.464 . . . . 15.0 109.746 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.0 m -115.26 125.63 53.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.875 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -120.49 131.84 54.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.523 0.678 . . . . 15.0 110.545 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.768 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 65.6 m-85 -90.5 124.81 35.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.248 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -104.31 115.96 31.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.161 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 24.1 t-20 -98.99 117.64 33.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.749 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -73.95 -31.78 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 15.0 111.442 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 451' ' ' ARG . 6.1 tpm_? -64.04 -38.67 91.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.194 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 m -121.79 0.97 9.9 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.981 -0.287 . . . . 15.0 111.145 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 88.6 mt 63.81 26.21 14.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.067 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -95.98 144.61 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.934 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.639 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 t -123.34 131.95 53.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.57 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -125.65 130.97 52.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -79.83 5.15 14.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.242 0.544 . . . . 15.0 110.655 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -127.18 143.65 51.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.212 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 125.22 91.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.444 . . . . 15.0 111.051 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.91 142.22 87.44 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.652 2.234 . . . . 15.0 111.058 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.01 -22.66 67.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.898 0.38 . . . . 15.0 110.044 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -63.87 -15.01 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.916 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 60.0 tp -94.93 -29.68 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.297 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 8.1 tmtm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.253 -0.88 . . . . 15.0 110.099 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.688 -0.565 . . . . 15.0 111.688 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.94 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.445 0.641 . . . . 15.0 109.734 174.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.8 t -118.28 165.14 14.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 15.0 109.859 176.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -93.26 -39.34 11.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.723 0.297 . . . . 15.0 110.756 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.36 123.19 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 121.278 0.561 . . . . 15.0 110.219 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.2 m -93.85 -4.07 50.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.408 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.54 -19.65 62.14 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.642 -0.503 . . . . 15.0 109.642 174.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.453 ' CH2' ' HG3' ' A' ' 460' ' ' PRO . 87.7 m95 -99.08 103.58 15.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.047 169.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.0 m -92.02 119.6 31.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.014 0.435 . . . . 15.0 110.564 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.455 ' HG2' ' H ' ' A' ' 437' ' ' GLU . 6.7 pt-20 -89.94 112.23 23.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 15.0 110.61 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 445' ' ' THR . 56.3 m-85 -103.48 121.92 43.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.643 -177.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 117.83 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.485 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.5 p -89.96 150.35 22.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.268 -0.423 . . . . 15.0 110.567 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -56.95 -29.95 63.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.966 0.413 . . . . 15.0 111.313 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -3.93 39.41 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.781 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.88 30.09 13.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.013 -0.613 . . . . 15.0 113.868 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 457' ' ' TRP . 53.3 mtpt -111.05 125.58 53.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.391 -0.476 . . . . 15.0 109.974 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 24.7 m -117.16 125.2 50.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.451 -0.34 . . . . 15.0 111.222 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 36.0 p90 -140.09 150.05 43.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.404 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -104.28 121.6 43.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.426 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -101.01 120.03 39.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.332 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -90.02 116.29 27.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.287 -0.634 . . . . 15.0 109.287 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -82.94 -11.11 58.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 15.0 111.241 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 451' ' ' ARG . 1.3 tpm_? -84.23 -31.32 25.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.306 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.4 p -116.8 -10.03 11.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.329 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.9 mt 68.38 26.78 6.62 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.213 0.605 . . . . 15.0 110.941 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -107.08 140.23 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 15.0 111.313 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.2 m -108.32 119.76 40.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.854 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.6 133.06 56.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.554 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.55 ' HZ3' ' HB3' ' A' ' 444' ' ' LYS . 82.8 m95 -88.99 -11.53 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.233 0.54 . . . . 15.0 110.155 175.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -109.34 140.81 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.16 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -60.23 122.15 64.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.147 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.721 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 40.4 Cg_endo -67.51 150.79 80.34 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.641 2.228 . . . . 15.0 111.55 175.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.9 -9.55 52.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.233 0.539 . . . . 15.0 110.58 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.85 -6.97 53.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 15.0 109.969 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.721 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 29.2 tp -94.01 -30.06 14.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.846 -175.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.813 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.627 -0.702 . . . . 15.0 110.564 -177.657 . . . . . . . . 2 2 . 1 stop_ save_