data_2na9_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 2na9 _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 ' 437' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.466 0.65 . . . . 1.9199999999999999 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 2.9 m -67.36 -43.69 80.84 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 114.338 -1.301 . . . . 1.8999999999999999 111.07 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.28 -41.93 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.754 -1.202 . . . . 1.3899999999999999 107.754 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.446 ' HA ' ' NE1' ' A' ' 443' ' ' TRP . 0.2 OUTLIER -60.43 -46.56 89.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.589 1.185 . . . . 2.5699999999999998 108.747 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.11 80.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.156 -1.838 . . . . 1.02 112.464 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 68.1 mtp -65.2 -41.42 94.56 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.999 -0.438 . . . . 2.2599999999999998 112.103 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 440' ' ' LEU . 33.8 p-90 -69.21 -28.66 66.56 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.463 -1.398 . . . . 0.58999999999999997 110.059 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.09 -46.98 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 121.183 1.81 . . . . 1.51 108.448 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 14.0 tp -62.03 -42.41 99.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.407 0.548 . . . . 2.3199999999999998 110.49 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.65 99.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.734 -0.604 . . . . 1.03 110.512 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.09 -36.16 81.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 119.042 -0.504 . . . . 2.1200000000000001 111.014 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.84 -43.44 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.465 1.029 . . . . 1.9199999999999999 109.205 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . 0.41 ' O ' ' OG1' ' A' ' 453' ' ' THR . 85.9 t -63.24 -41.96 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.043 -1.435 . . . . 1.48 110.531 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.68 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.648 -0.658 . . . . 1.9199999999999999 111.856 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -60.95 -47.62 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.314 -0.554 . . . . 0.81999999999999995 111.789 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.07 -38.93 89.53 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.478 1.132 . . . . 1.97 111.892 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 449' ' ' VAL . 27.9 m -59.21 -48.61 80.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 112.114 -2.312 . . . . 1.3200000000000001 109.2 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 454' ' ' ILE . 38.6 mt -67.88 -41.89 85.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 1.79 110.742 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -52.36 -47.92 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 122.029 0.918 . . . . 1.0800000000000001 112.081 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.37 -47.55 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-N 113.537 -1.665 . . . . 1.05 111.882 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -43.53 98.6 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 1.97 110.706 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -45.59 92.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.794 0.725 . . . . 1.5900000000000001 109.65 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.469 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -70.81 -34.56 71.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 118.626 -0.702 . . . . 1.04 110.692 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.46 -43.74 96.59 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.777 1.626 . . . . 1.28 110.021 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . 0.464 ' CD ' ' C ' ' A' ' 461' ' ' ARG . 0.1 OUTLIER -71.16 -47.61 56.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.057 -1.429 . . . . 3.52 112.551 -179.356 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -56.12 -40.98 74.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.99 -1.115 . . . . 0.5 107.99 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 27.8 m -80.85 -24.88 38.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.975 0.417 . . . . 0.37 109.976 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.79 -46.12 94.31 Favored Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.274 -0.73 . . . . 0.27000000000000002 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 122.327 1.06 . . . . 1.3400000000000001 112.65 -179.786 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 20.6 m -63.77 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.058 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.109 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 88.5 mt -61.83 -42.28 98.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.186 0.517 . . . . 1.0 110.9 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.77 76.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.001 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.08 -41.62 99.45 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.32 0.859 . . . . 1.0 113.32 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.528 ' NE1' ' O ' ' A' ' 440' ' ' LEU . 60.0 p-90 -67.75 -30.56 70.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 118.582 -1.247 . . . . 1.0 110.376 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.21 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 118.745 0.702 . . . . 1.0 109.371 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.73 -41.25 99.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.05 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.849 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.65 -39.46 94.4 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.986 -0.286 . . . . 1.0 110.453 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.44 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.102 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.0 mm -62.85 -43.78 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.629 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -62.78 -45.06 94.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.01 -0.676 . . . . 1.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.52 -40.81 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.0 110.513 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 30.0 m -63.82 -47.95 78.76 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 119.731 -0.787 . . . . 1.0 110.56 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -42.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.648 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.44 -43.49 83.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.239 0.542 . . . . 1.0 111.694 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.24 -45.36 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.126 -0.943 . . . . 1.0 111.85 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.968 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.34 -43.66 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.959 -0.697 . . . . 1.0 109.908 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.19 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.212 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.95 -43.48 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.209 -0.596 . . . . 1.0 109.738 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.2 -42.25 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.609 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -59.81 -46.53 88.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.129 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.5 m -76.12 -22.03 55.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.15 91.59 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 465' ' ' ILE . 19.7 tt . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 16.1 m -63.97 -39.92 95.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.882 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.02 -43.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.229 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 86.0 mt -61.84 -42.21 98.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.255 0.55 . . . . 1.0 110.961 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.37 78.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.553 -0.749 . . . . 1.0 112.207 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.7 mtt -63.09 -41.82 99.47 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.484 0.92 . . . . 1.0 113.484 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 63.0 p-90 -67.57 -31.6 71.78 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.686 -1.206 . . . . 1.0 110.614 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.09 -45.13 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.676 . . . . 1.0 109.262 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.91 -43.05 99.64 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.07 -0.652 . . . . 1.0 109.286 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.12 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 1.0 111.354 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.13 -38.66 91.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 121.047 -0.261 . . . . 1.0 111.249 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.02 -43.73 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.325 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.59 -43.25 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 1.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.56 -43.91 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.821 -0.351 . . . . 1.0 111.449 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -63.03 -44.46 95.84 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.509 -0.877 . . . . 1.0 110.675 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.89 -41.5 97.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 1.0 110.696 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -63.19 -47.8 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.108 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.67 -43.09 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.115 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.68 85.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.308 0.575 . . . . 1.0 111.537 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.16 -45.72 97.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.102 -0.953 . . . . 1.0 111.684 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.61 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.934 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.13 -43.6 97.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.8 -0.76 . . . . 1.0 109.898 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.08 78.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.112 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 1.0 109.678 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -42.27 97.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.244 -0.889 . . . . 1.0 109.785 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.75 -46.47 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 1.0 109.897 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.65 -22.92 56.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.75 91.92 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 111.745 0.276 . . . . 1.0 111.745 -179.144 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -67.65 -35.69 79.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.96 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.56 -43.57 96.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.516 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.18 -43.45 98.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.442 0.639 . . . . 1.0 110.59 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.81 84.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.941 -1.027 . . . . 1.0 111.878 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.77 -42.95 97.68 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.543 0.942 . . . . 1.0 113.543 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -69.07 -31.83 70.87 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 118.152 -1.419 . . . . 1.0 110.017 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.77 -45.64 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 118.693 0.679 . . . . 1.0 109.621 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.8 -42.2 99.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.72 93.08 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.164 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -38.67 91.93 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.08 -0.248 . . . . 1.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 4.0 mm -61.72 -43.94 97.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.551 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.82 -41.99 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.07 -44.78 99.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.701 -0.4 . . . . 1.0 111.097 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -63.91 -43.85 94.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.704 -0.798 . . . . 1.0 110.613 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.01 -41.76 97.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -63.37 -47.56 81.55 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.65 0.738 . . . . 1.0 110.475 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.1 -42.81 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.074 -0.966 . . . . 1.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.06 82.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.801 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.161 -0.927 . . . . 1.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.69 -42.54 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.326 -0.549 . . . . 1.0 110.941 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.07 -43.7 97.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.852 -0.739 . . . . 1.0 109.91 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.13 79.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.034 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.478 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.93 -43.42 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.584 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.28 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.189 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -59.58 -45.69 91.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.263 -0.881 . . . . 1.0 110.304 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 86.1 m -78.08 -21.77 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.75 94.77 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.449 -1.06 . . . . 1.0 110.449 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.551 0.215 . . . . 1.0 110.85 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -68.08 -35.8 78.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.103 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.46 -43.47 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.638 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.62 -43.01 99.66 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.497 0.665 . . . . 1.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.87 76.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.225 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.073 0.768 . . . . 1.0 113.073 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.638 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 59.8 p-90 -66.6 -30.11 70.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 118.333 -1.347 . . . . 1.0 110.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.66 -46.32 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 118.722 0.692 . . . . 1.0 109.836 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.86 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.618 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.7 -37.72 88.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.176 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.92 -41.54 91.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.565 1.174 . . . . 1.0 108.687 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.06 -43.41 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 114.922 -1.035 . . . . 1.0 110.119 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.24 -45.12 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.088 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.52 -43.19 97.9 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.007 -1.077 . . . . 1.0 110.954 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.52 -41.39 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.329 0.585 . . . . 1.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.7 m -63.16 -48.26 79.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.04 -0.982 . . . . 1.0 110.189 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -42.79 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.0 80.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.66 0.743 . . . . 1.0 111.649 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.66 -45.99 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.706 -1.133 . . . . 1.0 111.706 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.72 -43.08 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.577 -0.449 . . . . 1.0 111.131 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.32 -43.57 97.4 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.01 -0.676 . . . . 1.0 109.874 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.261 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.35 -43.08 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.232 -0.587 . . . . 1.0 109.789 -179.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.64 -42.82 98.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.393 -0.821 . . . . 1.0 109.885 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.52 -46.07 91.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.64 -27.2 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.186 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.01 -40.52 97.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.712 -0.756 . . . . 1.0 111.424 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.632 0.253 . . . . 1.0 111.003 -179.534 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.003 0.43 . . . . 1.0 109.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 48.3 m -63.58 -41.04 98.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.132 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.21 -43.31 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.562 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 14.8 tp -61.05 -43.54 98.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 1.0 109.844 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.69 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.139 -0.937 . . . . 1.0 112.241 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.56 -41.69 98.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.562 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 60.7 p-90 -66.89 -30.82 71.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.177 -1.409 . . . . 1.0 109.711 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.21 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.64 0.654 . . . . 1.0 109.756 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.37 -42.33 99.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.601 -0.44 . . . . 1.0 109.816 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.85 88.58 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.856 -0.338 . . . . 1.0 111.288 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.42 -38.5 91.25 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.548 -0.461 . . . . 1.0 111.206 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -42.87 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.321 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.23 -42.48 96.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.899 -1.046 . . . . 1.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.74 -43.72 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 120.869 0.366 . . . . 1.0 111.593 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.58 -47.0 85.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 119.38 -0.928 . . . . 1.0 111.149 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.16 -40.4 96.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.17 0.51 . . . . 1.0 111.813 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.1 m -62.59 -48.35 79.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.454 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.91 -39.28 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.121 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.37 -43.76 92.81 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.338 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 66.3 t -63.23 -45.6 97.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.704 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.78 -42.6 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.938 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.78 -43.41 96.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.734 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.01 78.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.268 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.1 -43.32 99.06 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.801 -179.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.99 -42.76 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.732 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.58 -45.48 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.5 m -75.92 -25.99 56.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.214 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.25 -39.26 94.35 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.23 0.538 . . . . 1.0 110.155 -179.85 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.943 0.401 . . . . 1.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 74.3 p -67.72 -35.17 78.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.101 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.97 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.479 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.6 mt -61.87 -41.99 98.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 1.0 110.776 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.45 75.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.871 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.85 -42.08 99.61 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.36 0.874 . . . . 1.0 113.36 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 60.5 p-90 -67.16 -30.66 70.69 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 118.747 -1.181 . . . . 1.0 110.419 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.35 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 118.728 0.695 . . . . 1.0 109.344 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.31 -41.48 98.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.516 -0.549 . . . . 1.0 109.516 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.62 90.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.422 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.111 -0.235 . . . . 1.0 111.187 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.18 -44.45 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.891 -0.724 . . . . 1.0 111.666 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 25.8 m -66.47 -38.3 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.416 0.524 . . . . 1.0 112.416 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 6.5 tt -64.74 -41.36 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.575 -0.85 . . . . 1.0 111.438 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.83 -43.36 96.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.952 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.13 -41.23 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.349 0.595 . . . . 1.0 111.185 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.9 m -64.42 -47.08 80.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.354 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -41.86 90.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.115 -0.948 . . . . 1.0 110.394 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.04 88.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.31 -45.37 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 114.998 -1.001 . . . . 1.0 111.623 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.65 -42.84 99.83 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.891 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.6 -43.78 95.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.072 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.19 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.78 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.311 0.577 . . . . 1.0 109.733 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -64.37 -42.42 96.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.525 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.03 -45.79 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.114 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -75.82 -23.75 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.09 93.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.778 -0.211 . . . . 1.0 110.672 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.2 p -66.68 -33.89 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.39 -43.84 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.535 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 3.2 mm? -61.79 -41.73 98.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.161 0.505 . . . . 1.0 110.896 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.0 76.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.058 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.8 mtt -63.27 -41.46 99.01 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.177 0.806 . . . . 1.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.535 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 61.6 p-90 -67.55 -31.01 70.79 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 118.314 -1.355 . . . . 1.0 110.163 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.3 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.641 0.655 . . . . 1.0 109.362 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.38 -41.73 98.86 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.368 -0.533 . . . . 1.0 109.66 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.13 95.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.07 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.44 -38.84 92.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.087 -0.245 . . . . 1.0 110.849 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.432 HD13 HG21 ' A' ' 448' ' ' ILE . 87.8 mt -62.05 -43.81 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 119.884 -0.727 . . . . 1.0 110.636 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.22 -42.41 96.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.47 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 120.027 -0.669 . . . . 1.0 111.879 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -61.58 -44.75 96.44 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.05 -41.07 97.5 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.702 0.287 . . . . 1.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.6 m -63.2 -47.02 84.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.073 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.08 -38.26 81.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.538 0.685 . . . . 1.0 111.077 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.41 -44.06 92.92 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.84 -1.073 . . . . 1.0 110.561 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.9 -44.53 98.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.052 -0.976 . . . . 1.0 111.561 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.33 -43.11 99.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.259 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.14 -43.66 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.813 -0.755 . . . . 1.0 109.678 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.137 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -42.83 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.362 0.601 . . . . 1.0 109.778 -179.59 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -61.96 -42.78 99.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.043 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.09 -46.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.874 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -70.83 -27.66 64.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.103 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.49 -40.96 94.47 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.521 -0.631 . . . . 1.0 111.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 1.0 111.01 -179.449 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.232 0.159 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 37.6 t -64.82 -39.97 94.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.866 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.63 -43.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.28 -42.96 99.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.475 0.655 . . . . 1.0 109.916 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.73 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.169 -0.923 . . . . 1.0 112.023 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.69 -42.85 97.94 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.634 0.976 . . . . 1.0 113.634 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 59.1 p-90 -68.51 -30.98 69.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.009 -1.477 . . . . 1.0 109.711 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.45 -45.61 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 118.783 0.719 . . . . 1.0 109.486 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.65 -42.08 99.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.57 -0.452 . . . . 1.0 109.867 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.62 92.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.791 0.329 . . . . 1.0 110.977 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.8 -40.04 95.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.504 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.43 -44.17 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 120.375 -0.53 . . . . 1.0 111.99 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 20.8 m -65.02 -35.45 75.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.748 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 27.4 mm -62.93 -43.94 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -62.25 -47.28 85.06 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.377 -0.529 . . . . 1.0 111.965 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.7 m -61.8 -48.32 81.14 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.975 -0.69 . . . . 1.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.72 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.092 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.78 90.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.259 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.69 -47.02 94.87 Favored 'Isoleucine or valine' 0 C--O 1.23 0.039 0 CA-C-N 115.824 -0.626 . . . . 1.0 112.607 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.345 -0.542 . . . . 1.0 111.608 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.23 -43.7 97.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.633 -0.827 . . . . 1.0 110.022 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.36 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.477 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.14 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.049 -0.66 . . . . 1.0 109.865 -179.514 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -44.06 97.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.637 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.63 -45.47 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.384 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.85 -25.0 58.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.15 97.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 1.0 109.935 179.317 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.142 0.496 . . . . 1.0 109.677 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.5 m -64.21 -41.04 97.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.34 -0.846 . . . . 1.0 109.973 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.18 -43.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.623 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 13.3 tp -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.532 0.682 . . . . 1.0 110.026 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.93 80.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.387 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.4 mtt -63.11 -41.48 99.36 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.223 0.823 . . . . 1.0 113.223 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.623 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 58.6 p-90 -66.67 -29.82 69.93 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 118.349 -1.34 . . . . 1.0 110.234 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.35 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 118.881 0.764 . . . . 1.0 109.773 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.48 -41.19 98.61 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.191 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.84 98.94 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 120.211 -0.596 . . . . 1.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 447' ' ' LEU . 2.2 mm? -63.98 -36.02 82.59 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 122.232 -0.293 . . . . 1.0 110.559 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -63.45 -42.44 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-O 121.502 0.667 . . . . 1.0 110.146 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.81 -42.34 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-N 114.417 -1.265 . . . . 1.0 109.362 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.41 -45.37 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 120.198 -0.601 . . . . 1.0 111.927 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.153 -0.619 . . . . 1.0 110.939 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.37 -41.75 98.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.903 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.28 -48.14 79.4 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.851 -0.739 . . . . 1.0 110.165 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.36 -42.77 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.039 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 1.0 111.78 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.98 -45.58 98.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 114.97 -1.014 . . . . 1.0 111.798 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -42.75 99.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.929 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.16 -43.61 97.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.793 -0.763 . . . . 1.0 109.825 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.17 79.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.209 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.71 -42.67 99.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.524 0.678 . . . . 1.0 109.947 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -62.47 -42.8 99.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.48 -47.01 88.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.173 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.48 -26.05 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.73 68.22 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.522 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.497 0.555 . . . . 1.0 112.497 -178.063 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 24.0 m -63.4 -40.32 96.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.996 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.37 -43.49 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.643 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 12.8 tp -61.09 -43.15 99.32 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.521 0.677 . . . . 1.0 109.857 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.48 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.981 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.9 mmm -63.04 -41.8 99.6 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.338 0.866 . . . . 1.0 113.338 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.643 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 58.9 p-90 -67.23 -30.13 69.96 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.598 -1.241 . . . . 1.0 110.143 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 63.0 t -62.32 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 118.627 0.648 . . . . 1.0 109.444 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.66 -41.29 98.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.39 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.3 -38.09 89.82 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.568 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.64 -43.85 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.102 0.477 . . . . 1.0 110.421 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.89 -39.89 87.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.072 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.59 -43.84 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.951 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -61.15 -44.59 97.08 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.933 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.64 -40.83 92.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 21.3 m -65.02 -49.04 71.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.666 -0.697 . . . . 1.0 112.009 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.6 tt -69.35 -37.93 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.772 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.15 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.384 0.611 . . . . 1.0 111.042 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.17 -45.38 98.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 114.898 -1.046 . . . . 1.0 111.461 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.52 -42.97 99.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.609 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -43.69 95.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.456 -0.897 . . . . 1.0 109.947 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.92 -38.9 76.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 461' ' ' ARG . 0.0 OUTLIER -62.44 -39.47 93.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.948 0.795 . . . . 1.0 109.208 -178.49 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . 0.54 ' N ' ' CD1' ' A' ' 460' ' ' LEU . 7.5 tmm_? -63.59 -42.25 98.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.619 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.06 -45.48 92.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.779 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 76.7 m -74.16 -25.41 59.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.96 0.41 . . . . 1.0 110.065 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.03 94.6 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 1.0 110.698 -179.544 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 109.503 -0.555 . . . . 1.0 109.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 72.6 p -66.3 -37.58 85.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.601 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.091 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.451 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 57.6 tp -60.94 -44.26 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 1.0 110.468 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.27 96.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.185 -0.916 . . . . 1.0 112.309 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.4 mtt -64.45 -43.91 92.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.451 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 19.4 p-90 -69.82 -32.16 70.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 118.991 -1.084 . . . . 1.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.08 -45.01 99.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 119.39 0.995 . . . . 1.0 109.076 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.3 -41.49 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.181 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.95 99.62 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.507 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 447' ' ' LEU . 1.7 mm? -63.67 -39.25 93.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.423 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.81 -43.26 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.177 -0.609 . . . . 1.0 109.931 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.46 -43.7 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.716 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.79 -44.13 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.545 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -61.31 -45.01 96.25 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.783 -0.767 . . . . 1.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.85 -41.21 97.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 1.0 111.123 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.2 m -63.2 -48.38 78.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.366 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 31.6 mm -64.0 -42.76 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.697 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.18 79.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.641 . . . . 1.0 111.24 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 66.8 t -62.88 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.099 -0.955 . . . . 1.0 111.806 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.75 -42.52 99.72 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.922 -0.711 . . . . 1.0 111.188 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.07 -43.43 98.6 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.664 -0.814 . . . . 1.0 109.737 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.87 -37.45 79.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.231 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.8 -43.4 98.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.181 -0.608 . . . . 1.0 109.667 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -64.49 -42.03 96.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.419 -0.81 . . . . 1.0 109.547 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.046 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.4 m -78.64 -21.5 48.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.75 -40.03 93.73 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.262 -1.135 . . . . 1.0 110.262 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.566 0.222 . . . . 1.0 110.927 179.724 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.299 0.571 . . . . 1.0 109.838 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 10.1 t -64.1 -41.15 97.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.402 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.37 -42.5 95.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.891 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.636 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 12.2 tp -60.72 -42.35 97.12 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.52 0.676 . . . . 1.0 109.211 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.27 73.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.593 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.73 -41.62 98.02 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.617 0.969 . . . . 1.0 113.617 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.636 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 60.3 p-90 -67.63 -29.93 69.37 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 118.342 -1.343 . . . . 1.0 109.9 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.44 -45.5 98.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 118.947 0.794 . . . . 1.0 109.192 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.19 -41.57 98.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.72 -39.59 94.68 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.939 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.68 -43.15 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.345 0.593 . . . . 1.0 109.815 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.57 -43.25 98.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 1.0 110.074 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.93 -43.82 99.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 119.552 -0.261 . . . . 1.0 111.638 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -60.54 -45.16 94.91 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 119.917 -0.713 . . . . 1.0 111.082 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.2 -40.57 96.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.6 m -62.83 -47.19 84.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.488 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 455' ' ' ALA . 42.1 pt -68.27 -40.71 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.796 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . 0.409 ' N ' HG13 ' A' ' 454' ' ' ILE . . . -55.65 -44.73 77.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.397 0.618 . . . . 1.0 111.246 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.41 -44.86 99.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 114.793 -1.094 . . . . 1.0 111.378 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.32 -43.03 99.76 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.402 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.32 -43.26 98.3 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.159 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.27 77.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.878 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.66 -43.23 97.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.152 -0.619 . . . . 1.0 109.967 -178.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -62.83 -42.13 99.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.553 -0.749 . . . . 1.0 109.765 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.166 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.6 m -75.77 -26.0 56.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.194 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.59 95.34 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.955 0.407 . . . . 1.0 110.404 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.476 -0.564 . . . . 1.0 109.476 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.2 t -64.28 -42.21 96.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.937 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.04 -43.51 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.641 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.39 -42.95 99.54 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.454 0.645 . . . . 1.0 109.96 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.53 75.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.01 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.5 mtt -63.26 -41.65 99.07 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.353 0.871 . . . . 1.0 113.353 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.641 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 59.4 p-90 -67.1 -30.17 70.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 118.63 -1.228 . . . . 1.0 110.04 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 62.2 t -62.57 -45.82 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 118.655 0.661 . . . . 1.0 109.377 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.4 -41.61 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.49 95.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.816 -0.353 . . . . 1.0 110.822 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.9 -38.29 90.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.111 -0.236 . . . . 1.0 110.709 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.53 -43.21 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.296 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.23 -42.38 95.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.535 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.22 -44.44 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.492 -0.883 . . . . 1.0 111.048 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -60.9 -44.76 96.69 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.619 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.34 -41.94 93.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.059 0.457 . . . . 1.0 111.838 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -48.94 72.7 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.918 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.4 tt -69.47 -38.67 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.982 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.84 91.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.444 0.64 . . . . 1.0 111.174 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.22 -45.55 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 114.827 -1.079 . . . . 1.0 111.607 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.67 -42.66 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.77 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.13 -43.74 97.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.875 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.26 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.215 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.465 0.65 . . . . 1.0 109.698 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.723 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.65 -47.71 84.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.194 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.9 m -71.01 -22.75 62.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.87 88.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.5 tt . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 111.802 0.297 . . . . 1.0 111.802 -179.132 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.952 0.406 . . . . 1.0 110.359 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.3 m -69.38 -43.16 74.09 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 m -66.93 -38.68 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 119.958 -0.697 . . . . 1.0 111.324 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.525 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 79.9 mt -62.51 -41.96 99.18 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.097 0.475 . . . . 1.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.04 73.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 1.0 111.96 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.05 -41.78 97.27 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.912 1.079 . . . . 1.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 440' ' ' LEU . 62.7 p-90 -69.0 -36.63 78.04 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.533 1.061 . . . . 1.0 111.802 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . 0.402 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 5.0 p -62.59 -41.65 92.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.568 1.076 . . . . 1.0 110.106 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.35 -41.67 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.78 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.173 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.38 -39.04 93.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.607 -0.27 . . . . 1.0 110.31 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.3 mm -61.68 -43.5 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.283 0.563 . . . . 1.0 110.18 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.26 -42.73 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.6 -43.03 98.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-O 119.747 -0.168 . . . . 1.0 111.19 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -63.46 -44.85 93.29 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.926 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.94 -40.52 96.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.306 0.574 . . . . 1.0 111.103 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -63.13 -47.6 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.88 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.88 -42.7 95.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.73 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.36 79.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.377 0.608 . . . . 1.0 111.476 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.06 -46.53 95.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.13 -0.941 . . . . 1.0 111.831 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.53 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.948 -0.701 . . . . 1.0 111.149 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.04 -43.8 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.602 -0.839 . . . . 1.0 110.068 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.89 -36.92 78.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.16 -42.96 99.5 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.188 -0.605 . . . . 1.0 109.707 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.95 -42.76 99.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 1.0 109.723 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.46 -46.06 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.84 -27.16 61.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.47 97.16 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.823 -0.703 . . . . 1.0 111.407 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.71 0.291 . . . . 1.0 111.062 -179.526 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 19.0 m -63.63 -40.19 96.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.123 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.99 -43.69 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.209 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.4 mt -61.79 -42.26 98.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.317 0.579 . . . . 1.0 110.951 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.78 76.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.395 -0.82 . . . . 1.0 112.037 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.28 -41.7 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.188 0.81 . . . . 1.0 113.188 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 61.8 p-90 -67.57 -31.45 71.52 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.479 -1.288 . . . . 1.0 110.098 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.45 -45.93 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 118.766 0.712 . . . . 1.0 109.512 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -42.06 98.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.49 89.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.91 -40.16 95.84 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.091 -0.244 . . . . 1.0 111.637 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 28.8 mm -62.14 -43.98 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 119.189 -1.004 . . . . 1.0 110.454 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.08 -43.76 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.514 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.06 -43.59 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 112.653 0.612 . . . . 1.0 112.653 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.3 -45.63 92.39 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.92 -35.94 81.12 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.565 0.698 . . . . 1.0 112.808 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.7 m -65.44 -45.77 82.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.484 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 46.3 pt -70.47 -28.74 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 120.647 -0.421 . . . . 1.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.21 98.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.63 -0.713 . . . . 1.0 111.509 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.14 -45.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.046 -0.979 . . . . 1.0 111.932 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.368 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.26 -43.71 97.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.592 -0.843 . . . . 1.0 109.875 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.12 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.225 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.77 -43.65 97.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.126 -0.63 . . . . 1.0 109.746 -179.472 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.69 95.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.613 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.71 -45.44 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.232 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 84.2 m -77.57 -25.26 49.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.233 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -65.43 -42.44 95.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.301 0.572 . . . . 1.0 109.742 179.213 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.86 0.362 . . . . 1.0 111.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 50.6 m -63.01 -41.18 99.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.428 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.93 -43.53 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.193 0.52 . . . . 1.0 111.147 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.88 75.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.653 -0.703 . . . . 1.0 112.156 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.84 -41.63 99.41 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.345 0.868 . . . . 1.0 113.345 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 59.6 p-90 -67.25 -30.54 70.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.438 -1.305 . . . . 1.0 110.332 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.83 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 118.732 0.697 . . . . 1.0 109.635 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.79 -40.42 97.28 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.32 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.75 94.02 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.168 -0.213 . . . . 1.0 110.637 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -40.15 96.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.565 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.3 -42.44 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.504 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.64 -43.26 98.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.17 -44.23 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.256 -0.578 . . . . 1.0 110.764 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.78 -44.35 96.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.69 -0.804 . . . . 1.0 111.325 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -41.4 96.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.192 0.52 . . . . 1.0 110.95 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.81 -47.48 80.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.58 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.77 -40.3 87.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.625 0.726 . . . . 1.0 110.374 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.49 89.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.07 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.44 -45.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.18 -0.918 . . . . 1.0 112.002 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.66 -43.08 99.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.994 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.57 -43.59 96.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.921 -0.712 . . . . 1.0 109.867 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.74 -37.24 79.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.304 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.97 -43.41 98.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.87 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.66 95.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.675 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.77 -45.51 94.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.28 -27.05 52.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.389 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.34 86.18 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.877 0.37 . . . . 1.0 110.664 -179.655 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.9 t -63.92 -41.9 97.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.187 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.68 -43.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.276 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.7 mt -61.82 -42.29 98.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 1.0 110.819 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.56 75.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.817 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -41.61 99.29 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 62.1 p-90 -67.67 -31.41 71.36 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 118.515 -1.274 . . . . 1.0 110.243 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.22 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 118.921 0.782 . . . . 1.0 109.331 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.08 -41.15 97.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.66 -39.54 94.59 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 1.0 111.424 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -62.24 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.464 0.65 . . . . 1.0 110.255 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.29 -43.6 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.441 -0.8 . . . . 1.0 110.3 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.12 -43.89 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 121.117 -0.233 . . . . 1.0 111.545 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -59.17 -45.73 90.26 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 119.776 -0.77 . . . . 1.0 111.699 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.23 -36.3 81.37 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.489 0.661 . . . . 1.0 111.27 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 46.1 m -67.81 -49.98 59.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 118.813 -1.155 . . . . 1.0 111.592 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.3 tt -69.22 -38.8 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.51 81.17 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.493 0.663 . . . . 1.0 110.9 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.72 -44.63 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.613 -0.435 . . . . 1.0 111.415 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.18 -42.78 99.44 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.119 -1.033 . . . . 1.0 109.802 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.97 80.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.987 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.44 -42.68 99.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.618 . . . . 1.0 109.806 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.94 -42.62 99.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.234 -0.893 . . . . 1.0 109.935 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.03 -46.17 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.98 -27.3 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.932 0.396 . . . . 1.0 109.976 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.5 91.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 1.0 110.701 -179.457 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.088 0.471 . . . . 1.0 109.8 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -64.36 -42.15 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.921 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.95 -43.69 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.989 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 tt -61.36 -43.5 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 1.0 111.173 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.18 82.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.406 -0.815 . . . . 1.0 112.26 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.84 -41.98 97.7 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.406 0.891 . . . . 1.0 113.406 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 59.3 p-90 -68.44 -31.26 70.44 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 118.283 -1.367 . . . . 1.0 110.21 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 64.7 t -61.61 -45.49 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 118.692 0.678 . . . . 1.0 109.406 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -41.82 98.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.671 -0.492 . . . . 1.0 109.671 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.41 93.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.015 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.72 -38.67 91.98 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.599 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.88 -44.48 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.574 0.702 . . . . 1.0 110.007 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.79 -39.34 85.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.944 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.61 -44.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.929 -0.308 . . . . 1.0 111.079 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -62.01 -44.79 95.98 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.723 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.03 -41.69 95.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.309 0.576 . . . . 1.0 111.745 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 20.2 m -64.52 -50.19 68.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.29 -0.868 . . . . 1.0 111.713 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.6 tt -69.37 -39.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.986 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.7 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.529 0.68 . . . . 1.0 110.52 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.07 -45.02 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.718 -1.128 . . . . 1.0 111.264 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.323 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.34 -42.87 98.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.146 -1.022 . . . . 1.0 110.101 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.43 80.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.162 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.468 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.48 -42.77 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 1.0 109.793 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.27 -42.71 99.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.978 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.721 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.1 -26.98 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.895 0.379 . . . . 1.0 110.049 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.21 -40.69 92.39 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.672 0.272 . . . . 1.0 110.951 -179.314 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.1 t -64.38 -42.3 96.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.954 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.08 -43.09 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . 0.62 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 13.4 tp -60.8 -42.26 97.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.491 0.662 . . . . 1.0 109.671 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.69 77.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.545 -0.752 . . . . 1.0 112.759 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -64.28 -42.0 96.64 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.115 1.154 . . . . 1.0 114.115 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.62 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 62.5 p-90 -67.62 -37.73 82.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 118.951 -1.1 . . . . 1.0 111.325 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.77 -41.41 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 119.496 1.044 . . . . 1.0 110.265 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.09 -41.79 98.55 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.49 95.28 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 -38.78 92.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.4 mm -62.56 -43.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.423 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.05 -42.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.303 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.01 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.941 -0.474 . . . . 1.0 111.958 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.07 -46.36 89.44 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.961 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.17 -39.32 89.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.109 0.481 . . . . 1.0 112.164 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -64.75 -49.33 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.61 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.12 -38.33 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.881 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.69 76.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.355 0.598 . . . . 1.0 110.895 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 64.9 t -62.7 -45.56 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.122 -0.944 . . . . 1.0 111.527 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.27 -42.98 99.81 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.511 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.13 -43.01 99.55 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.284 -0.967 . . . . 1.0 110.082 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.07 79.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.963 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.5 -43.45 97.02 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.304 -0.558 . . . . 1.0 109.792 -179.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -63.58 -42.42 98.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.52 -0.763 . . . . 1.0 109.734 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.3 -45.35 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.092 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.1 m -76.52 -24.54 53.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.34 95.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.373 0.606 . . . . 1.0 109.846 179.252 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 73.6 p -65.58 -35.02 79.62 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.12 -43.17 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.178 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.76 -43.86 97.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.485 0.66 . . . . 1.0 110.121 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.19 97.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.606 -1.179 . . . . 1.0 112.385 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.2 -43.73 85.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.511 0.93 . . . . 1.0 113.511 -177.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -72.31 -35.62 68.69 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 118.958 -1.097 . . . . 1.0 111.956 -178.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.75 -40.43 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.937 1.244 . . . . 1.0 109.404 178.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -41.28 98.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.237 178.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.54 97.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.288 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 447' ' ' LEU . 1.4 mm? -63.47 -41.12 98.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.06 178.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.8 -43.97 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.003 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.12 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 1.0 112.695 -178.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . 0.432 ' O ' ' OG1' ' A' ' 453' ' ' THR . 38.9 pt -64.62 -42.12 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.332 -177.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -60.27 -44.69 95.11 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.01 -40.61 98.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 1.0 110.883 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 450' ' ' ILE . 54.5 p -64.16 -44.81 90.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.03 -42.93 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.267 -0.879 . . . . 1.0 111.248 179.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.89 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 1.0 111.574 -178.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.66 -46.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 1.0 111.797 -178.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.94 -42.52 99.84 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.846 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -44.19 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.432 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.21 78.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.198 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -42.78 99.16 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.503 0.668 . . . . 1.0 109.897 -179.493 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.49 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.015 -0.993 . . . . 1.0 108.95 178.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.82 -46.18 90.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 1.0 110.543 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -66.09 -38.62 94.15 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.871 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 1.0 110.402 -179.495 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.936 -1.266 . . . . 9.2799999999999994 109.936 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.56 26.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.016 -0.365 . . . . 11.58 110.016 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . 0.559 ' O ' ' OG ' ' A' ' 433' ' ' SER . 0.0 OUTLIER -51.59 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.674 -0.861 . . . . 11.41 108.674 179.551 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.559 ' OG ' ' O ' ' A' ' 432' ' ' ARG . 14.7 m -178.56 -37.52 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.466 0.65 . . . . 4.9000000000000004 110.889 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . 0.41 ' HA ' ' CE3' ' A' ' 434' ' ' TRP . 5.9 m95 -53.82 86.86 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.848 1.795 . . . . 9.5299999999999994 115.848 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 437' ' ' GLU . 2.2 m-20 -78.45 93.96 4.84 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 103.619 -2.734 . . . . 3.0299999999999998 103.619 173.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 435' ' ' ASP . 4.7 p -44.0 -18.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.1 -0.704 . . . . 1.6100000000000001 109.1 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 435' ' ' ASP . 85.3 mt-10 -51.05 -42.92 60.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.466 0.65 . . . . 1.9199999999999999 110.89 176.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 2.9 m -67.36 -43.69 80.84 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 114.338 -1.301 . . . . 1.8999999999999999 111.07 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.28 -41.93 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.754 -1.202 . . . . 1.3899999999999999 107.754 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.446 ' HA ' ' NE1' ' A' ' 443' ' ' TRP . 0.2 OUTLIER -60.43 -46.56 89.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.589 1.185 . . . . 2.5699999999999998 108.747 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.11 80.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.156 -1.838 . . . . 1.02 112.464 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 68.1 mtp -65.2 -41.42 94.56 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.999 -0.438 . . . . 2.2599999999999998 112.103 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 440' ' ' LEU . 33.8 p-90 -69.21 -28.66 66.56 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.463 -1.398 . . . . 0.58999999999999997 110.059 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.09 -46.98 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 121.183 1.81 . . . . 1.51 108.448 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 14.0 tp -62.03 -42.41 99.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.407 0.548 . . . . 2.3199999999999998 110.49 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.65 99.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.734 -0.604 . . . . 1.03 110.512 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.09 -36.16 81.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 119.042 -0.504 . . . . 2.1200000000000001 111.014 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.84 -43.44 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.465 1.029 . . . . 1.9199999999999999 109.205 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . 0.41 ' O ' ' OG1' ' A' ' 453' ' ' THR . 85.9 t -63.24 -41.96 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.043 -1.435 . . . . 1.48 110.531 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.68 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.648 -0.658 . . . . 1.9199999999999999 111.856 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -60.95 -47.62 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.314 -0.554 . . . . 0.81999999999999995 111.789 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.07 -38.93 89.53 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.478 1.132 . . . . 1.97 111.892 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 449' ' ' VAL . 27.9 m -59.21 -48.61 80.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 112.114 -2.312 . . . . 1.3200000000000001 109.2 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 454' ' ' ILE . 38.6 mt -67.88 -41.89 85.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 1.79 110.742 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -52.36 -47.92 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 122.029 0.918 . . . . 1.0800000000000001 112.081 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.37 -47.55 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-N 113.537 -1.665 . . . . 1.05 111.882 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -43.53 98.6 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 1.97 110.706 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -45.59 92.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.794 0.725 . . . . 1.5900000000000001 109.65 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.469 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -70.81 -34.56 71.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 118.626 -0.702 . . . . 1.04 110.692 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.46 -43.74 96.59 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.777 1.626 . . . . 1.28 110.021 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . 0.464 ' CD ' ' C ' ' A' ' 461' ' ' ARG . 0.1 OUTLIER -71.16 -47.61 56.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.057 -1.429 . . . . 3.52 112.551 -179.356 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -56.12 -40.98 74.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.99 -1.115 . . . . 0.5 107.99 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 468' ' ' TYR . 27.8 m -80.85 -24.88 38.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.975 0.417 . . . . 0.37 109.976 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.79 -46.12 94.31 Favored Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.274 -0.73 . . . . 0.27000000000000002 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 14.0 tt -73.11 -18.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.327 1.06 . . . . 1.3400000000000001 112.65 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 468' ' ' TYR . 0.4 OUTLIER -77.24 -10.35 59.37 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.229 -1.805 . . . . 3.8900000000000001 111.122 174.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 72.43 0.47 47.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 105.914 -2.875 . . . . 0.70999999999999996 105.914 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 470' ' ' LEU . 9.6 t80 -28.61 -45.88 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.694 -0.753 . . . . 5.75 112.185 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.467 ' C ' ' N ' ' A' ' 471' ' ' ARG . 1.2 mmp_? -60.07 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 124.048 0.842 . . . . 9.9000000000000004 110.971 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . 0.686 ' N ' ' O ' ' A' ' 468' ' ' TYR . 0.8 OUTLIER -58.81 -22.9 59.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 104.315 -2.476 . . . . 7.4699999999999998 104.315 177.065 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . 0.526 HH11 ' CG ' ' A' ' 471' ' ' ARG . 1.2 ttt-85 -82.19 98.15 8.59 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 112.331 -2.213 . . . . 11.41 112.412 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.409 ' HG3' HH11 ' A' ' 472' ' ' ARG . 38.1 ttm-85 -154.1 46.41 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.867 -1.531 . . . . 12.119999999999999 106.867 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 87.0 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-N 113.838 -1.528 . . . . 13.68 111.086 -178.251 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.586 -1.406 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.92 144.83 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.746 0.308 . . . . 1.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.91 136.05 42.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.6 t -61.57 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.635 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -109.43 144.03 38.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.655 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.56 112.54 24.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.466 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.6 p -68.08 -18.26 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.535 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 20.6 m -63.77 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.058 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.109 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 88.5 mt -61.83 -42.28 98.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.186 0.517 . . . . 1.0 110.9 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.77 76.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.001 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.08 -41.62 99.45 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.32 0.859 . . . . 1.0 113.32 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.528 ' NE1' ' O ' ' A' ' 440' ' ' LEU . 60.0 p-90 -67.75 -30.56 70.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 118.582 -1.247 . . . . 1.0 110.376 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.21 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 118.745 0.702 . . . . 1.0 109.371 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.73 -41.25 99.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.05 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.849 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.65 -39.46 94.4 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.986 -0.286 . . . . 1.0 110.453 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.44 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.102 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.0 mm -62.85 -43.78 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.629 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -62.78 -45.06 94.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.01 -0.676 . . . . 1.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.52 -40.81 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.0 110.513 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 30.0 m -63.82 -47.95 78.76 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 119.731 -0.787 . . . . 1.0 110.56 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -42.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.648 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.44 -43.49 83.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.239 0.542 . . . . 1.0 111.694 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.24 -45.36 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.126 -0.943 . . . . 1.0 111.85 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.968 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.34 -43.66 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.959 -0.697 . . . . 1.0 109.908 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.19 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.212 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.95 -43.48 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.209 -0.596 . . . . 1.0 109.738 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.2 -42.25 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.609 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -59.81 -46.53 88.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.129 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.5 m -76.12 -22.03 55.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.15 91.59 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 465' ' ' ILE . 19.7 tt -88.49 -2.1 8.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.62 -4.66 16.04 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.791 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 76.36 21.58 75.08 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.566 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.454 ' O ' ' O ' ' A' ' 467' ' ' GLY . 86.6 t80 34.95 97.43 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.006 0.431 . . . . 1.0 111.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 80.8 mtp85 -72.1 149.84 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.717 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.57 130.72 47.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.472 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.73 -43.2 99.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 41.25 79.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.375 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.581 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -42.01 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 1.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 435' ' ' ASP . 40.5 ptt180 -140.3 148.81 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.54 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.44 ' O ' ' OG1' ' A' ' 436' ' ' THR . 78.1 p -65.78 -18.96 65.7 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.842 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -59.44 -35.69 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 1.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 436' ' ' THR . 54.6 p-10 -63.64 -33.9 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.487 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.562 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 70.3 p -66.21 -19.88 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.277 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.09 -41.32 97.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.47 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 16.1 m -63.97 -39.92 95.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.882 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.02 -43.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.229 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 86.0 mt -61.84 -42.21 98.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.255 0.55 . . . . 1.0 110.961 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.37 78.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.553 -0.749 . . . . 1.0 112.207 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.7 mtt -63.09 -41.82 99.47 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.484 0.92 . . . . 1.0 113.484 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 63.0 p-90 -67.57 -31.6 71.78 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.686 -1.206 . . . . 1.0 110.614 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.09 -45.13 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.676 . . . . 1.0 109.262 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.91 -43.05 99.64 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.07 -0.652 . . . . 1.0 109.286 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.12 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 1.0 111.354 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.13 -38.66 91.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 121.047 -0.261 . . . . 1.0 111.249 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.02 -43.73 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.325 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.59 -43.25 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 1.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.56 -43.91 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.821 -0.351 . . . . 1.0 111.449 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -63.03 -44.46 95.84 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.509 -0.877 . . . . 1.0 110.675 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.89 -41.5 97.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 1.0 110.696 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -63.19 -47.8 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.108 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.67 -43.09 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.115 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.68 85.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.308 0.575 . . . . 1.0 111.537 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.16 -45.72 97.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.102 -0.953 . . . . 1.0 111.684 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.61 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.934 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.13 -43.6 97.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.8 -0.76 . . . . 1.0 109.898 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.08 78.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.112 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 1.0 109.678 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -42.27 97.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.244 -0.889 . . . . 1.0 109.785 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.75 -46.47 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 1.0 109.897 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.65 -22.92 56.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.75 91.92 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.7 tt -88.51 -2.35 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 111.745 0.276 . . . . 1.0 111.745 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -109.83 -2.88 17.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.61 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 76.23 22.53 73.34 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' A' ' 467' ' ' GLY . 92.4 t80 38.37 96.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.931 0.396 . . . . 1.0 111.02 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -128.3 148.37 50.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -108.06 131.59 54.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.371 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -74.18 143.6 45.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.58 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -76.65 144.57 39.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.593 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.05 -41.91 99.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 1.0 110.631 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.73 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.999 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.1 p -76.43 165.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.203 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -71.19 137.91 49.11 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 1.0 110.214 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.38 139.72 57.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.956 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.6 p -68.97 -17.54 63.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.172 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.81 -38.37 90.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -67.65 -35.69 79.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.96 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.56 -43.57 96.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.516 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.18 -43.45 98.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.442 0.639 . . . . 1.0 110.59 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.81 84.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.941 -1.027 . . . . 1.0 111.878 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.77 -42.95 97.68 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.543 0.942 . . . . 1.0 113.543 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -69.07 -31.83 70.87 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 118.152 -1.419 . . . . 1.0 110.017 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.77 -45.64 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 118.693 0.679 . . . . 1.0 109.621 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.8 -42.2 99.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.72 93.08 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.164 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -38.67 91.93 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.08 -0.248 . . . . 1.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 4.0 mm -61.72 -43.94 97.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.551 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.82 -41.99 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.07 -44.78 99.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.701 -0.4 . . . . 1.0 111.097 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -63.91 -43.85 94.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.704 -0.798 . . . . 1.0 110.613 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.01 -41.76 97.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -63.37 -47.56 81.55 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.65 0.738 . . . . 1.0 110.475 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.1 -42.81 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.074 -0.966 . . . . 1.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.06 82.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.801 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.161 -0.927 . . . . 1.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.69 -42.54 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.326 -0.549 . . . . 1.0 110.941 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.07 -43.7 97.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.852 -0.739 . . . . 1.0 109.91 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.13 79.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.034 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.478 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.93 -43.42 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.584 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.28 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.189 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -59.58 -45.69 91.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.263 -0.881 . . . . 1.0 110.304 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 86.1 m -78.08 -21.77 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.75 94.77 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.449 -1.06 . . . . 1.0 110.449 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.25 -1.78 2.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.551 0.215 . . . . 1.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -107.21 -0.32 22.75 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.544 -0.462 . . . . 1.0 109.762 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 86.28 8.23 78.48 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.905 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.76 137.91 51.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.752 0.31 . . . . 1.0 110.6 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.664 HH21 ' NH2' ' A' ' 472' ' ' ARG . 90.2 mtm180 -129.44 146.93 51.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.64 131.91 54.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.487 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 41.14 82.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.621 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.664 ' NH2' HH21 ' A' ' 469' ' ' ARG . 99.8 mtt180 -64.22 -39.62 94.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.537 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 1.0 110.561 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.9 145.22 50.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 1.0 110.472 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -129.35 147.86 51.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 31.9 p -153.49 162.84 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.68 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.97 143.8 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.549 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.75 142.11 57.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.1 p -68.21 -17.94 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.567 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.08 -39.56 94.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -68.08 -35.8 78.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.103 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.46 -43.47 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.638 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.62 -43.01 99.66 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.497 0.665 . . . . 1.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.87 76.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.225 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.073 0.768 . . . . 1.0 113.073 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.638 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 59.8 p-90 -66.6 -30.11 70.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 118.333 -1.347 . . . . 1.0 110.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.66 -46.32 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 118.722 0.692 . . . . 1.0 109.836 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.86 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.618 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.7 -37.72 88.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.176 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.92 -41.54 91.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.565 1.174 . . . . 1.0 108.687 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.06 -43.41 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 114.922 -1.035 . . . . 1.0 110.119 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.24 -45.12 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.088 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.52 -43.19 97.9 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.007 -1.077 . . . . 1.0 110.954 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.52 -41.39 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.329 0.585 . . . . 1.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.7 m -63.16 -48.26 79.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.04 -0.982 . . . . 1.0 110.189 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -42.79 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.0 80.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.66 0.743 . . . . 1.0 111.649 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.66 -45.99 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.706 -1.133 . . . . 1.0 111.706 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.72 -43.08 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.577 -0.449 . . . . 1.0 111.131 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.32 -43.57 97.4 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.01 -0.676 . . . . 1.0 109.874 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.261 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.35 -43.08 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.232 -0.587 . . . . 1.0 109.789 -179.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.64 -42.82 98.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.393 -0.821 . . . . 1.0 109.885 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.52 -46.07 91.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.64 -27.2 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.186 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.01 -40.52 97.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.712 -0.756 . . . . 1.0 111.424 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.27 -1.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.632 0.253 . . . . 1.0 111.003 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -103.43 -11.64 17.7 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.627 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.15 68.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 46.91 -100.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.317 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -127.74 146.32 50.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.471 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.67 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -129.26 145.21 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.639 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.51 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.586 -1.406 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.09 -41.96 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -74.99 145.22 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.393 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.7 p -155.03 162.51 41.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.801 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -110.41 147.03 34.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -87.57 111.49 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.985 0.421 . . . . 1.0 110.287 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 p -68.07 -18.27 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.376 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.57 -41.27 98.4 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.25 -0.58 . . . . 1.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 48.3 m -63.58 -41.04 98.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.132 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.21 -43.31 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.562 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 14.8 tp -61.05 -43.54 98.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 1.0 109.844 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.69 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.139 -0.937 . . . . 1.0 112.241 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.56 -41.69 98.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.562 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 60.7 p-90 -66.89 -30.82 71.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.177 -1.409 . . . . 1.0 109.711 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.21 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.64 0.654 . . . . 1.0 109.756 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.37 -42.33 99.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.601 -0.44 . . . . 1.0 109.816 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.85 88.58 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.856 -0.338 . . . . 1.0 111.288 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.42 -38.5 91.25 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.548 -0.461 . . . . 1.0 111.206 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -42.87 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.321 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.23 -42.48 96.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.899 -1.046 . . . . 1.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.74 -43.72 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 120.869 0.366 . . . . 1.0 111.593 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.58 -47.0 85.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 119.38 -0.928 . . . . 1.0 111.149 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.16 -40.4 96.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.17 0.51 . . . . 1.0 111.813 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.1 m -62.59 -48.35 79.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.454 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.91 -39.28 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.121 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.37 -43.76 92.81 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.338 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 66.3 t -63.23 -45.6 97.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.704 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.78 -42.6 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.938 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.78 -43.41 96.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.734 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.01 78.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.268 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.1 -43.32 99.06 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.801 -179.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.99 -42.76 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.732 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.58 -45.48 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.5 m -75.92 -25.99 56.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.214 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.25 -39.26 94.35 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -87.52 -0.48 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.23 0.538 . . . . 1.0 110.155 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -97.03 -7.27 33.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.704 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.05 18.07 63.81 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -60.67 -47.45 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.86 -42.95 97.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.324 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.98 143.1 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -128.03 146.0 50.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.433 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 40.06 81.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.689 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.46 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.06 -41.83 99.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 1.0 110.646 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.44 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.8 m -72.44 148.63 44.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.599 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -108.09 143.79 36.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.446 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -91.77 112.11 23.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.1 m -65.79 -19.9 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.827 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.63 -39.5 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.401 . . . . 1.0 110.094 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 74.3 p -67.72 -35.17 78.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.101 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.97 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.479 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.6 mt -61.87 -41.99 98.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 1.0 110.776 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.45 75.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.871 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.85 -42.08 99.61 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.36 0.874 . . . . 1.0 113.36 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 60.5 p-90 -67.16 -30.66 70.69 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 118.747 -1.181 . . . . 1.0 110.419 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.35 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 118.728 0.695 . . . . 1.0 109.344 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.31 -41.48 98.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.516 -0.549 . . . . 1.0 109.516 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.62 90.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.422 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.111 -0.235 . . . . 1.0 111.187 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.18 -44.45 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.891 -0.724 . . . . 1.0 111.666 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 25.8 m -66.47 -38.3 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.416 0.524 . . . . 1.0 112.416 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 6.5 tt -64.74 -41.36 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.575 -0.85 . . . . 1.0 111.438 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.83 -43.36 96.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.952 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.13 -41.23 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.349 0.595 . . . . 1.0 111.185 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.9 m -64.42 -47.08 80.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.354 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -41.86 90.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.115 -0.948 . . . . 1.0 110.394 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.04 88.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.31 -45.37 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 114.998 -1.001 . . . . 1.0 111.623 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.65 -42.84 99.83 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.891 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.6 -43.78 95.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.072 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.19 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.78 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.311 0.577 . . . . 1.0 109.733 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -64.37 -42.42 96.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.525 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.03 -45.79 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.114 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -75.82 -23.75 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.09 93.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.81 -2.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.778 -0.211 . . . . 1.0 110.672 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -108.09 -0.09 21.35 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 81.98 15.54 74.68 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -70.52 131.58 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 1.0 110.584 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.62 147.48 52.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.56 141.0 44.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.458 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -125.34 131.83 52.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -88.06 140.2 29.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.95 -1.024 . . . . 1.0 110.339 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.408 -1.477 . . . . 1.0 109.408 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 434' ' ' TRP . 88.7 tttt -62.5 -44.38 96.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 1.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.845 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 39.3 t -61.54 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.511 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . 0.455 ' O ' ' O ' ' A' ' 431' ' ' LYS . 99.1 m95 -108.15 141.75 39.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.886 0.374 . . . . 1.0 111.075 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -95.34 111.61 23.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.8 p -69.46 -18.21 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.452 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.44 -35.08 76.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.832 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.2 p -66.68 -33.89 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.39 -43.84 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.535 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 3.2 mm? -61.79 -41.73 98.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.161 0.505 . . . . 1.0 110.896 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.0 76.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.058 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.8 mtt -63.27 -41.46 99.01 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.177 0.806 . . . . 1.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.535 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 61.6 p-90 -67.55 -31.01 70.79 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 118.314 -1.355 . . . . 1.0 110.163 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.3 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.641 0.655 . . . . 1.0 109.362 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.38 -41.73 98.86 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.368 -0.533 . . . . 1.0 109.66 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.13 95.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.07 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.44 -38.84 92.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.087 -0.245 . . . . 1.0 110.849 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.432 HD13 HG21 ' A' ' 448' ' ' ILE . 87.8 mt -62.05 -43.81 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 119.884 -0.727 . . . . 1.0 110.636 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.22 -42.41 96.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.47 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 120.027 -0.669 . . . . 1.0 111.879 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -61.58 -44.75 96.44 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.05 -41.07 97.5 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.702 0.287 . . . . 1.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.6 m -63.2 -47.02 84.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.073 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.08 -38.26 81.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.538 0.685 . . . . 1.0 111.077 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.41 -44.06 92.92 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.84 -1.073 . . . . 1.0 110.561 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.9 -44.53 98.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.052 -0.976 . . . . 1.0 111.561 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.33 -43.11 99.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.259 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.14 -43.66 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.813 -0.755 . . . . 1.0 109.678 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.137 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -42.83 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.362 0.601 . . . . 1.0 109.778 -179.59 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -61.96 -42.78 99.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.043 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.09 -46.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.874 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -70.83 -27.66 64.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.103 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.49 -40.96 94.47 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.521 -0.631 . . . . 1.0 111.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.03 -0.94 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 1.0 111.01 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -103.59 -7.21 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 1.0 110.408 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 80.89 20.95 64.32 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 48.8 -103.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.438 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -123.4 129.72 51.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.7 mt -112.29 130.95 55.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.447 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -64.85 -36.88 85.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.452 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -70.89 144.65 50.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.303 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.354 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.541 -1.424 . . . . 1.0 109.541 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.25 -41.89 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 1.0 110.554 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.48 143.54 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.675 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 77.8 p -62.81 -35.81 81.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.69 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.98 144.25 37.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -90.77 110.3 21.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.966 0.412 . . . . 1.0 110.621 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 70.3 p -67.79 -18.21 64.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.29 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 37.6 t -64.82 -39.97 94.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.866 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.63 -43.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.28 -42.96 99.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.475 0.655 . . . . 1.0 109.916 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.73 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.169 -0.923 . . . . 1.0 112.023 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.69 -42.85 97.94 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.634 0.976 . . . . 1.0 113.634 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 59.1 p-90 -68.51 -30.98 69.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.009 -1.477 . . . . 1.0 109.711 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.45 -45.61 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 118.783 0.719 . . . . 1.0 109.486 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.65 -42.08 99.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.57 -0.452 . . . . 1.0 109.867 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.62 92.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.791 0.329 . . . . 1.0 110.977 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.8 -40.04 95.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.504 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.43 -44.17 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 120.375 -0.53 . . . . 1.0 111.99 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 20.8 m -65.02 -35.45 75.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.748 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 27.4 mm -62.93 -43.94 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -62.25 -47.28 85.06 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.377 -0.529 . . . . 1.0 111.965 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.7 m -61.8 -48.32 81.14 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.975 -0.69 . . . . 1.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.72 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.092 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.78 90.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.259 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.69 -47.02 94.87 Favored 'Isoleucine or valine' 0 C--O 1.23 0.039 0 CA-C-N 115.824 -0.626 . . . . 1.0 112.607 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.345 -0.542 . . . . 1.0 111.608 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.23 -43.7 97.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.633 -0.827 . . . . 1.0 110.022 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.36 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.477 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.14 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.049 -0.66 . . . . 1.0 109.865 -179.514 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -44.06 97.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.637 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.63 -45.47 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.384 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.85 -25.0 58.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.15 97.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.8 tt -81.79 -0.67 4.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 1.0 109.935 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -95.77 -9.36 31.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.904 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 85.64 20.77 55.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 469' ' ' ARG . 88.5 t80 -69.4 130.65 43.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.176 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 468' ' ' TYR . 96.1 mtt180 27.86 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 111.999 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 470' ' ' LEU . 3.8 mm? -77.26 141.39 40.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.09 -39.58 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -96.13 137.07 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.507 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.418 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -126.92 145.14 50.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 1.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -75.52 143.83 42.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.402 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.423 ' O ' ' OG1' ' A' ' 436' ' ' THR . 85.8 p -75.41 159.14 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.606 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -61.4 -40.06 92.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -62.58 -39.14 92.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.037 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 433' ' ' SER . 65.8 p -66.19 -21.82 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.316 -0.24 . . . . 1.0 111.622 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.979 -0.689 . . . . 1.0 109.677 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.5 m -64.21 -41.04 97.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.34 -0.846 . . . . 1.0 109.973 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.18 -43.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.623 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 13.3 tp -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.532 0.682 . . . . 1.0 110.026 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.93 80.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.387 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.4 mtt -63.11 -41.48 99.36 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.223 0.823 . . . . 1.0 113.223 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.623 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 58.6 p-90 -66.67 -29.82 69.93 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 118.349 -1.34 . . . . 1.0 110.234 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.35 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 118.881 0.764 . . . . 1.0 109.773 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.48 -41.19 98.61 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.191 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.84 98.94 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 120.211 -0.596 . . . . 1.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 447' ' ' LEU . 2.2 mm? -63.98 -36.02 82.59 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 122.232 -0.293 . . . . 1.0 110.559 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -63.45 -42.44 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-O 121.502 0.667 . . . . 1.0 110.146 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.81 -42.34 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-N 114.417 -1.265 . . . . 1.0 109.362 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.41 -45.37 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 120.198 -0.601 . . . . 1.0 111.927 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.153 -0.619 . . . . 1.0 110.939 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.37 -41.75 98.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.903 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.28 -48.14 79.4 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.851 -0.739 . . . . 1.0 110.165 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.36 -42.77 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.039 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 1.0 111.78 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.98 -45.58 98.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 114.97 -1.014 . . . . 1.0 111.798 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -42.75 99.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.929 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.16 -43.61 97.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.793 -0.763 . . . . 1.0 109.825 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.17 79.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.209 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.71 -42.67 99.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.524 0.678 . . . . 1.0 109.947 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -62.47 -42.8 99.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.48 -47.01 88.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.173 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.48 -26.05 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.73 68.22 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.522 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.45 -3.07 9.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.497 0.555 . . . . 1.0 112.497 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -109.46 2.83 20.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.723 0.297 . . . . 1.0 110.761 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 75.85 22.89 73.63 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.305 -0.718 . . . . 1.0 111.305 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 467' ' ' GLY . 93.3 m-85 58.17 138.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.039 0.447 . . . . 1.0 110.823 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.34 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.541 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.48 128.97 55.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.623 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -69.87 134.85 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.35 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.85 145.57 51.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.508 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.087 -0.959 . . . . 1.0 110.522 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.487 -1.445 . . . . 1.0 109.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.11 145.53 50.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -128.56 146.62 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 68.5 m -130.24 152.91 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.596 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -110.52 145.45 37.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.24 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -89.79 111.94 23.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.701 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.0 p -68.23 -17.92 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.298 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.5 -39.94 95.77 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 24.0 m -63.4 -40.32 96.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.996 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.37 -43.49 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.643 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 12.8 tp -61.09 -43.15 99.32 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.521 0.677 . . . . 1.0 109.857 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.48 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.981 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.9 mmm -63.04 -41.8 99.6 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.338 0.866 . . . . 1.0 113.338 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.643 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 58.9 p-90 -67.23 -30.13 69.96 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.598 -1.241 . . . . 1.0 110.143 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 63.0 t -62.32 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 118.627 0.648 . . . . 1.0 109.444 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.66 -41.29 98.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.39 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.3 -38.09 89.82 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.568 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.64 -43.85 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.102 0.477 . . . . 1.0 110.421 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.89 -39.89 87.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.072 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.59 -43.84 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.951 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -61.15 -44.59 97.08 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.933 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.64 -40.83 92.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 21.3 m -65.02 -49.04 71.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.666 -0.697 . . . . 1.0 112.009 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.6 tt -69.35 -37.93 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.772 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.15 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.384 0.611 . . . . 1.0 111.042 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.17 -45.38 98.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 114.898 -1.046 . . . . 1.0 111.461 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.52 -42.97 99.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.609 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -43.69 95.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.456 -0.897 . . . . 1.0 109.947 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.92 -38.9 76.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 461' ' ' ARG . 0.0 OUTLIER -62.44 -39.47 93.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.948 0.795 . . . . 1.0 109.208 -178.49 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . 0.54 ' N ' ' CD1' ' A' ' 460' ' ' LEU . 7.5 tmm_? -63.59 -42.25 98.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.619 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.06 -45.48 92.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.779 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 76.7 m -74.16 -25.41 59.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.96 0.41 . . . . 1.0 110.065 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.03 94.6 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -88.62 -0.76 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 1.0 110.698 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -101.51 -7.15 23.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.398 . . . . 1.0 110.086 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 83.55 19.04 62.75 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 467' ' ' GLY . 97.0 m-85 56.3 154.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.046 0.451 . . . . 1.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.18 -39.16 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.399 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.9 141.86 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.483 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.45 -39.64 94.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.555 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -75.4 144.22 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.635 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.019 -0.991 . . . . 1.0 110.509 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.27 -41.07 98.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.91 0.386 . . . . 1.0 110.659 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.35 -39.78 94.57 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.51 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.6 p -74.26 157.65 35.46 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 121.096 0.474 . . . . 1.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -92.86 -8.57 43.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.803 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -65.59 -39.51 91.65 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.057 -0.657 . . . . 1.0 110.073 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.9 p -65.0 -25.43 67.86 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-O 122.399 1.095 . . . . 1.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.26 -38.2 79.51 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 119.057 -1.057 . . . . 1.0 109.503 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 72.6 p -66.3 -37.58 85.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.601 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.091 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.451 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 57.6 tp -60.94 -44.26 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 1.0 110.468 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.27 96.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.185 -0.916 . . . . 1.0 112.309 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.4 mtt -64.45 -43.91 92.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.451 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 19.4 p-90 -69.82 -32.16 70.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 118.991 -1.084 . . . . 1.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.08 -45.01 99.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 119.39 0.995 . . . . 1.0 109.076 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.3 -41.49 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.181 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.95 99.62 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.507 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 447' ' ' LEU . 1.7 mm? -63.67 -39.25 93.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.423 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.81 -43.26 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.177 -0.609 . . . . 1.0 109.931 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.46 -43.7 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.716 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.79 -44.13 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.545 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -61.31 -45.01 96.25 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.783 -0.767 . . . . 1.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.85 -41.21 97.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 1.0 111.123 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.2 m -63.2 -48.38 78.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.366 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 31.6 mm -64.0 -42.76 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.697 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.18 79.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.641 . . . . 1.0 111.24 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 66.8 t -62.88 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.099 -0.955 . . . . 1.0 111.806 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.75 -42.52 99.72 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.922 -0.711 . . . . 1.0 111.188 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.07 -43.43 98.6 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.664 -0.814 . . . . 1.0 109.737 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.87 -37.45 79.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.231 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.8 -43.4 98.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.181 -0.608 . . . . 1.0 109.667 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -64.49 -42.03 96.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.419 -0.81 . . . . 1.0 109.547 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.046 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.4 m -78.64 -21.5 48.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.75 -40.03 93.73 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.262 -1.135 . . . . 1.0 110.262 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.2 tt -71.76 -1.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.566 0.222 . . . . 1.0 110.927 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -106.5 0.2 24.48 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 87.48 10.32 70.83 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 115.82 -0.627 . . . . 1.0 112.244 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.63 135.91 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.7 0.25 . . . . 1.0 110.662 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -126.71 134.45 50.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.4 mt -110.47 132.09 54.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.607 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -127.87 145.92 50.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.56 144.85 41.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.232 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 66.1 tttm . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 118.141 -0.933 . . . . 1.0 110.213 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.598 -1.401 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.35 -42.31 98.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 1.0 110.194 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.71 -37.57 87.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 90.0 p -73.58 163.18 28.36 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.963 0.411 . . . . 1.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -110.84 143.45 41.4 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.72 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.997 0.427 . . . . 1.0 111.171 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 40.2 p -67.99 -19.97 64.98 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.17 -39.55 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.299 0.571 . . . . 1.0 109.838 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 10.1 t -64.1 -41.15 97.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.402 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.37 -42.5 95.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.891 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.636 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 12.2 tp -60.72 -42.35 97.12 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.52 0.676 . . . . 1.0 109.211 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.27 73.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.593 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.73 -41.62 98.02 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.617 0.969 . . . . 1.0 113.617 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.636 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 60.3 p-90 -67.63 -29.93 69.37 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 118.342 -1.343 . . . . 1.0 109.9 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.44 -45.5 98.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 118.947 0.794 . . . . 1.0 109.192 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.19 -41.57 98.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.72 -39.59 94.68 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.939 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.68 -43.15 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.345 0.593 . . . . 1.0 109.815 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.57 -43.25 98.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 1.0 110.074 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.93 -43.82 99.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 119.552 -0.261 . . . . 1.0 111.638 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -60.54 -45.16 94.91 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 119.917 -0.713 . . . . 1.0 111.082 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.2 -40.57 96.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.6 m -62.83 -47.19 84.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.488 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 455' ' ' ALA . 42.1 pt -68.27 -40.71 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.796 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . 0.409 ' N ' HG13 ' A' ' 454' ' ' ILE . . . -55.65 -44.73 77.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.397 0.618 . . . . 1.0 111.246 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.41 -44.86 99.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 114.793 -1.094 . . . . 1.0 111.378 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.32 -43.03 99.76 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.402 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.32 -43.26 98.3 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.159 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.27 77.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.878 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.66 -43.23 97.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.152 -0.619 . . . . 1.0 109.967 -178.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -62.83 -42.13 99.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.553 -0.749 . . . . 1.0 109.765 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.166 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.6 m -75.77 -26.0 56.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.194 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.59 95.34 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -89.41 -1.3 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.955 0.407 . . . . 1.0 110.404 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -97.25 -9.1 28.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 86.24 10.68 73.99 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.55 -0.583 . . . . 1.0 112.174 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -113.95 129.34 56.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.835 0.817 . . . . 1.0 112.32 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.215 -0.902 . . . . 1.0 111.146 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.4 mt -37.93 105.82 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.118 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -65.26 -43.28 91.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.235 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -105.26 138.46 41.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.51 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.096 -0.954 . . . . 1.0 110.194 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.547 -1.421 . . . . 1.0 109.547 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.08 -41.98 99.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 1.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -75.23 144.43 42.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.5 m -60.23 -42.77 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -111.23 137.65 48.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.758 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -98.23 110.58 23.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.353 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.9 p -68.15 -20.07 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.926 -0.31 . . . . 1.0 110.234 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.22 -41.3 94.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.476 -0.564 . . . . 1.0 109.476 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.2 t -64.28 -42.21 96.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.937 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.04 -43.51 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.641 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.39 -42.95 99.54 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.454 0.645 . . . . 1.0 109.96 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.53 75.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.01 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.5 mtt -63.26 -41.65 99.07 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.353 0.871 . . . . 1.0 113.353 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.641 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 59.4 p-90 -67.1 -30.17 70.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 118.63 -1.228 . . . . 1.0 110.04 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 62.2 t -62.57 -45.82 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 118.655 0.661 . . . . 1.0 109.377 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.4 -41.61 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.49 95.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.816 -0.353 . . . . 1.0 110.822 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.9 -38.29 90.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.111 -0.236 . . . . 1.0 110.709 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.53 -43.21 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.296 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.23 -42.38 95.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.535 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.22 -44.44 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.492 -0.883 . . . . 1.0 111.048 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -60.9 -44.76 96.69 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.619 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.34 -41.94 93.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.059 0.457 . . . . 1.0 111.838 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -48.94 72.7 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.918 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.4 tt -69.47 -38.67 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.982 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.84 91.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.444 0.64 . . . . 1.0 111.174 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.22 -45.55 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 114.827 -1.079 . . . . 1.0 111.607 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.67 -42.66 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.77 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.13 -43.74 97.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.875 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.26 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.215 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.465 0.65 . . . . 1.0 109.698 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.723 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.65 -47.71 84.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.194 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.9 m -71.01 -22.75 62.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.87 88.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.5 tt -88.58 -2.35 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 111.802 0.297 . . . . 1.0 111.802 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -109.73 -2.96 17.06 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.629 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.55 19.14 64.6 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.258 -0.496 . . . . 1.0 112.775 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.21 139.02 49.13 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.889 0.376 . . . . 1.0 110.851 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 59.48 43.66 15.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.421 0.629 . . . . 1.0 109.502 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.14 -41.88 99.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.435 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -102.4 137.44 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.571 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -140.17 153.42 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.507 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . 0.528 ' N ' ' OG1' ' A' ' 436' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.35 -44.21 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 1.0 110.628 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.54 -43.68 98.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.431 ' OG ' ' OD1' ' A' ' 435' ' ' ASP . 34.2 p -156.78 161.54 39.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 1.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -87.28 -14.12 41.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.431 ' OD1' ' OG ' ' A' ' 433' ' ' SER . 41.5 p-10 -76.97 -5.04 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.664 -0.414 . . . . 1.0 110.525 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 430' ' ' GLY . 75.2 p -69.17 -18.9 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.186 0.517 . . . . 1.0 109.783 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.55 -41.3 88.87 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.359 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.3 m -69.38 -43.16 74.09 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 m -66.93 -38.68 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 119.958 -0.697 . . . . 1.0 111.324 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.525 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 79.9 mt -62.51 -41.96 99.18 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.097 0.475 . . . . 1.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.04 73.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 1.0 111.96 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.05 -41.78 97.27 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.912 1.079 . . . . 1.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 440' ' ' LEU . 62.7 p-90 -69.0 -36.63 78.04 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.533 1.061 . . . . 1.0 111.802 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . 0.402 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 5.0 p -62.59 -41.65 92.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.568 1.076 . . . . 1.0 110.106 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.35 -41.67 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.78 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.173 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.38 -39.04 93.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.607 -0.27 . . . . 1.0 110.31 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.3 mm -61.68 -43.5 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.283 0.563 . . . . 1.0 110.18 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.26 -42.73 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.6 -43.03 98.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-O 119.747 -0.168 . . . . 1.0 111.19 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -63.46 -44.85 93.29 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.926 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.94 -40.52 96.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.306 0.574 . . . . 1.0 111.103 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -63.13 -47.6 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.88 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.88 -42.7 95.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.73 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.36 79.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.377 0.608 . . . . 1.0 111.476 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.06 -46.53 95.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.13 -0.941 . . . . 1.0 111.831 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.53 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.948 -0.701 . . . . 1.0 111.149 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.04 -43.8 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.602 -0.839 . . . . 1.0 110.068 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.89 -36.92 78.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.16 -42.96 99.5 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.188 -0.605 . . . . 1.0 109.707 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.95 -42.76 99.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 1.0 109.723 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.46 -46.06 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.84 -27.16 61.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.47 97.16 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.823 -0.703 . . . . 1.0 111.407 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.24 -1.35 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.71 0.291 . . . . 1.0 111.062 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -104.06 -11.23 17.48 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.602 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.96 20.6 70.03 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 50.33 -104.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.321 . . . . 1.0 110.539 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -84.08 141.31 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.586 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.04 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -67.79 134.38 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.544 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.43 144.88 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.46 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.48 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 1.0 110.572 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -75.11 145.63 42.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.7 m -130.11 152.12 49.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -61.07 -39.2 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -94.97 109.06 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.661 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.1 p -68.65 -18.34 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.479 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.4 -40.7 97.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 19.0 m -63.63 -40.19 96.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.123 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.99 -43.69 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.209 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.4 mt -61.79 -42.26 98.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.317 0.579 . . . . 1.0 110.951 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.78 76.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.395 -0.82 . . . . 1.0 112.037 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.28 -41.7 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.188 0.81 . . . . 1.0 113.188 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 61.8 p-90 -67.57 -31.45 71.52 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.479 -1.288 . . . . 1.0 110.098 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.45 -45.93 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 118.766 0.712 . . . . 1.0 109.512 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -42.06 98.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.49 89.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.91 -40.16 95.84 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.091 -0.244 . . . . 1.0 111.637 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 28.8 mm -62.14 -43.98 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 119.189 -1.004 . . . . 1.0 110.454 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.08 -43.76 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.514 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.06 -43.59 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 112.653 0.612 . . . . 1.0 112.653 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.3 -45.63 92.39 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.92 -35.94 81.12 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.565 0.698 . . . . 1.0 112.808 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.7 m -65.44 -45.77 82.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.484 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 46.3 pt -70.47 -28.74 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 120.647 -0.421 . . . . 1.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.21 98.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.63 -0.713 . . . . 1.0 111.509 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.14 -45.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.046 -0.979 . . . . 1.0 111.932 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.368 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.26 -43.71 97.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.592 -0.843 . . . . 1.0 109.875 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.12 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.225 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.77 -43.65 97.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.126 -0.63 . . . . 1.0 109.746 -179.472 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.69 95.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.613 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.71 -45.44 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.232 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 84.2 m -77.57 -25.26 49.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.233 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -65.43 -42.44 95.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt -79.34 -0.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.301 0.572 . . . . 1.0 109.742 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -97.83 -9.17 26.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.989 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.24 15.56 68.98 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -60.81 -47.28 87.05 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -73.79 134.06 43.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.221 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.95 140.2 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.346 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 60.8 66.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.561 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.57 -43.22 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.484 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.57 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.367 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.57 -44.13 97.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 1.0 110.485 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -75.79 143.01 42.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.707 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 t -68.19 145.29 54.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -59.75 -37.2 78.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.85 -16.97 64.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.629 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.4 m -62.44 -41.84 99.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -52.72 -45.74 67.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 1.0 111.479 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 50.6 m -63.01 -41.18 99.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.428 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.93 -43.53 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.193 0.52 . . . . 1.0 111.147 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.88 75.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.653 -0.703 . . . . 1.0 112.156 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.84 -41.63 99.41 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.345 0.868 . . . . 1.0 113.345 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 59.6 p-90 -67.25 -30.54 70.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.438 -1.305 . . . . 1.0 110.332 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.83 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 118.732 0.697 . . . . 1.0 109.635 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.79 -40.42 97.28 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.32 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.75 94.02 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.168 -0.213 . . . . 1.0 110.637 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -40.15 96.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.565 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.3 -42.44 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.504 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.64 -43.26 98.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.17 -44.23 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.256 -0.578 . . . . 1.0 110.764 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.78 -44.35 96.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.69 -0.804 . . . . 1.0 111.325 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -41.4 96.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.192 0.52 . . . . 1.0 110.95 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.81 -47.48 80.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.58 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.77 -40.3 87.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.625 0.726 . . . . 1.0 110.374 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.49 89.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.07 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.44 -45.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.18 -0.918 . . . . 1.0 112.002 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.66 -43.08 99.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.994 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.57 -43.59 96.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.921 -0.712 . . . . 1.0 109.867 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.74 -37.24 79.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.304 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.97 -43.41 98.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.87 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.66 95.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.675 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.77 -45.51 94.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.28 -27.05 52.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.389 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.34 86.18 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -82.0 -0.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.877 0.37 . . . . 1.0 110.664 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -100.41 -1.68 35.31 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 79.7 21.69 65.8 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.144 -0.782 . . . . 1.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.21 -45.42 94.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.983 0.391 . . . . 1.0 111.411 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.621 ' NH1' ' NH2' ' A' ' 472' ' ' ARG . 94.2 mtt-85 -63.74 -38.91 92.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 1.0 112.413 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.1 mt 57.37 -114.29 0.8 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.759 0.314 . . . . 1.0 110.286 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -105.15 136.57 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.592 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.621 ' NH2' ' NH1' ' A' ' 469' ' ' ARG . 63.2 ttm-85 -128.42 133.29 48.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.224 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.447 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.88 134.2 50.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.0 110.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -101.61 138.19 38.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.648 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -34.66 76.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.471 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -108.08 142.87 37.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.67 140.9 57.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.0 p -68.41 -18.11 64.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.305 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.9 t -63.92 -41.9 97.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.187 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.68 -43.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.276 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.7 mt -61.82 -42.29 98.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 1.0 110.819 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.56 75.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.817 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -41.61 99.29 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 62.1 p-90 -67.67 -31.41 71.36 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 118.515 -1.274 . . . . 1.0 110.243 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.22 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 118.921 0.782 . . . . 1.0 109.331 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.08 -41.15 97.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.66 -39.54 94.59 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 1.0 111.424 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -62.24 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.464 0.65 . . . . 1.0 110.255 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.29 -43.6 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.441 -0.8 . . . . 1.0 110.3 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.12 -43.89 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 121.117 -0.233 . . . . 1.0 111.545 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -59.17 -45.73 90.26 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 119.776 -0.77 . . . . 1.0 111.699 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.23 -36.3 81.37 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.489 0.661 . . . . 1.0 111.27 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 46.1 m -67.81 -49.98 59.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 118.813 -1.155 . . . . 1.0 111.592 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.3 tt -69.22 -38.8 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.51 81.17 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.493 0.663 . . . . 1.0 110.9 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.72 -44.63 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.613 -0.435 . . . . 1.0 111.415 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.18 -42.78 99.44 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.119 -1.033 . . . . 1.0 109.802 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.97 80.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.987 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.44 -42.68 99.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.618 . . . . 1.0 109.806 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.94 -42.62 99.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.234 -0.893 . . . . 1.0 109.935 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.03 -46.17 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.98 -27.3 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.932 0.396 . . . . 1.0 109.976 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.5 91.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.71 -1.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 1.0 110.701 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.95 -5.6 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.789 -0.449 . . . . 1.0 109.789 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 95.25 -1.71 64.91 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.534 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 81.2 t80 57.97 152.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.299 . . . . 1.0 110.688 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.534 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -74.75 144.51 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.738 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.27 131.11 55.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.36 -39.63 94.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.481 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -101.6 136.77 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.544 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.73 144.42 50.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.41 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.2 t -139.09 145.0 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.896 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -111.03 144.46 40.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -92.16 -0.26 57.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 1.0 110.428 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.6 m -65.67 -20.46 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.36 -42.22 96.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.8 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -64.36 -42.15 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.921 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.95 -43.69 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.989 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 tt -61.36 -43.5 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 1.0 111.173 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.18 82.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.406 -0.815 . . . . 1.0 112.26 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.84 -41.98 97.7 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.406 0.891 . . . . 1.0 113.406 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 59.3 p-90 -68.44 -31.26 70.44 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 118.283 -1.367 . . . . 1.0 110.21 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 64.7 t -61.61 -45.49 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 118.692 0.678 . . . . 1.0 109.406 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -41.82 98.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.671 -0.492 . . . . 1.0 109.671 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.41 93.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.015 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.72 -38.67 91.98 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.599 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.88 -44.48 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.574 0.702 . . . . 1.0 110.007 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.79 -39.34 85.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.944 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.61 -44.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.929 -0.308 . . . . 1.0 111.079 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -62.01 -44.79 95.98 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.723 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.03 -41.69 95.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.309 0.576 . . . . 1.0 111.745 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 20.2 m -64.52 -50.19 68.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.29 -0.868 . . . . 1.0 111.713 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.6 tt -69.37 -39.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.986 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.7 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.529 0.68 . . . . 1.0 110.52 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.07 -45.02 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.718 -1.128 . . . . 1.0 111.264 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.323 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.34 -42.87 98.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.146 -1.022 . . . . 1.0 110.101 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.43 80.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.162 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.468 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.48 -42.77 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 1.0 109.793 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.27 -42.71 99.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.978 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . 0.4 ' CZ ' ' CE1' ' A' ' 466' ' ' TYR . 88.2 t80 -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.1 -26.98 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.895 0.379 . . . . 1.0 110.049 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.21 -40.69 92.39 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -89.0 -1.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.672 0.272 . . . . 1.0 110.951 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.4 ' CE1' ' CZ ' ' A' ' 462' ' ' PHE . 1.0 OUTLIER -102.96 -3.08 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 1.0 110.215 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 81.01 18.92 68.49 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 86.6 t80 57.64 156.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.721 0.296 . . . . 1.0 110.442 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.513 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 90.2 mtm180 -72.68 144.03 47.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.801 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.23 132.71 53.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.452 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.36 -39.33 93.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.44 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.56 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.528 -1.429 . . . . 1.0 109.528 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.89 145.03 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 1.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.93 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.4 m -72.13 148.52 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.567 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -98.11 144.14 27.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.108 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.64 140.89 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.384 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 72.3 p -67.8 -19.12 65.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.7 -42.02 95.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.1 t -64.38 -42.3 96.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.954 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.08 -43.09 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.62 ' CD1' ' HE1' ' A' ' 443' ' ' TRP . 13.4 tp -60.8 -42.26 97.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.491 0.662 . . . . 1.0 109.671 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.69 77.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.545 -0.752 . . . . 1.0 112.759 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -64.28 -42.0 96.64 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.115 1.154 . . . . 1.0 114.115 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.62 ' HE1' ' CD1' ' A' ' 440' ' ' LEU . 62.5 p-90 -67.62 -37.73 82.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 118.951 -1.1 . . . . 1.0 111.325 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.77 -41.41 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 119.496 1.044 . . . . 1.0 110.265 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.09 -41.79 98.55 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.49 95.28 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 -38.78 92.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.4 mm -62.56 -43.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.423 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.05 -42.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.303 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.01 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.941 -0.474 . . . . 1.0 111.958 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.07 -46.36 89.44 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.961 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.17 -39.32 89.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.109 0.481 . . . . 1.0 112.164 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -64.75 -49.33 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.61 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.12 -38.33 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.881 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.69 76.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.355 0.598 . . . . 1.0 110.895 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 64.9 t -62.7 -45.56 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.122 -0.944 . . . . 1.0 111.527 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.27 -42.98 99.81 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.511 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.13 -43.01 99.55 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.284 -0.967 . . . . 1.0 110.082 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.07 79.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.963 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.5 -43.45 97.02 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.304 -0.558 . . . . 1.0 109.792 -179.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -63.58 -42.42 98.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.52 -0.763 . . . . 1.0 109.734 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.3 -45.35 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.092 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.1 m -76.52 -24.54 53.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.34 95.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt -79.67 -0.67 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.373 0.606 . . . . 1.0 109.846 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -97.13 -7.63 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.827 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.63 62.83 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.473 ' CE2' ' O ' ' A' ' 469' ' ' ARG . 89.9 t80 -69.65 132.92 46.94 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.44 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.473 ' O ' ' CE2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -76.51 145.02 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 470' ' ' LEU . 4.0 mm? -101.67 129.99 47.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.414 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -84.06 142.48 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.583 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -125.06 132.61 53.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.297 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.56 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 N-CA-C 109.685 -1.366 . . . . 1.0 109.685 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.23 -42.86 96.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.487 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.14 -41.63 97.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.559 -0.456 . . . . 1.0 109.803 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.9 t -70.04 144.48 52.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.992 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.29 -39.25 82.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.131 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 56.81 36.62 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.191 179.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.5 p -64.88 -18.11 64.89 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.86 -39.85 95.68 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.478 -0.489 . . . . 1.0 109.791 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 73.6 p -65.58 -35.02 79.62 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.12 -43.17 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.178 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.76 -43.86 97.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.485 0.66 . . . . 1.0 110.121 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.19 97.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.606 -1.179 . . . . 1.0 112.385 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.2 -43.73 85.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.511 0.93 . . . . 1.0 113.511 -177.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -72.31 -35.62 68.69 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 118.958 -1.097 . . . . 1.0 111.956 -178.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.75 -40.43 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.937 1.244 . . . . 1.0 109.404 178.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -41.28 98.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.237 178.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.54 97.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.288 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 447' ' ' LEU . 1.4 mm? -63.47 -41.12 98.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.06 178.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.8 -43.97 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.003 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.12 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 1.0 112.695 -178.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . 0.432 ' O ' ' OG1' ' A' ' 453' ' ' THR . 38.9 pt -64.62 -42.12 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.332 -177.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -60.27 -44.69 95.11 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.01 -40.61 98.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 1.0 110.883 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 450' ' ' ILE . 54.5 p -64.16 -44.81 90.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.03 -42.93 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.267 -0.879 . . . . 1.0 111.248 179.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.89 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 1.0 111.574 -178.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.66 -46.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 1.0 111.797 -178.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.94 -42.52 99.84 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.846 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -44.19 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.432 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.21 78.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.198 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -42.78 99.16 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.503 0.668 . . . . 1.0 109.897 -179.493 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.49 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.015 -0.993 . . . . 1.0 108.95 178.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 91.5 t80 -59.82 -46.18 90.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.256 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 468' ' ' TYR . 73.1 m -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 1.0 110.543 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -66.09 -38.62 94.15 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.871 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -87.97 -0.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 1.0 110.402 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 462' ' ' PHE . 3.8 m-85 -99.51 -0.34 40.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.348 -0.982 . . . . 1.0 108.348 176.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 92.48 8.07 62.85 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.987 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 463' ' ' CYS . 97.4 m-85 -116.39 135.89 53.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.636 0.218 . . . . 1.0 110.669 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -129.16 143.84 51.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.225 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.55 -42.76 98.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -128.23 143.61 51.05 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 110.814 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 54.88 78.33 0.18 Allowed 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.996 -179.894 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.466 0.65 . . . . 1.92 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 2.9 m -67.36 -43.69 80.84 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 114.338 -1.301 . . . . 1.31 111.07 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.28 -41.93 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.754 -1.202 . . . . 0.74 107.754 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.476 ' HA ' ' NE1' ' A' ' 443' ' ' TRP . 0.2 OUTLIER -60.43 -46.56 89.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.589 1.185 . . . . 2.06 108.747 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.11 80.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.156 -1.838 . . . . 0.2 112.464 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 68.1 mtp -65.2 -41.42 94.56 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.999 -0.438 . . . . 1.73 112.103 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.509 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 33.8 p-90 -69.21 -28.66 66.56 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.463 -1.398 . . . . 0.5 110.059 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.509 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 90.5 t -64.09 -46.98 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 121.183 1.81 . . . . 0.83 108.448 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 14.0 tp -62.03 -42.41 99.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.407 0.548 . . . . 1.8 110.49 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.65 99.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.734 -0.604 . . . . 0.17 110.512 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.09 -36.16 81.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 119.042 -0.504 . . . . 1.44 111.014 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.84 -43.44 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.465 1.029 . . . . 1.27 109.205 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.9 t -63.24 -41.96 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.043 -1.435 . . . . 0.83 110.531 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.68 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.648 -0.658 . . . . 1.3 111.856 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -60.95 -47.62 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.314 -0.554 . . . . 0.58 111.789 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.07 -38.93 89.53 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.478 1.132 . . . . 1.35 111.892 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 27.9 m -59.21 -48.61 80.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 112.114 -2.312 . . . . 0.62 109.2 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.88 -41.89 85.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 1.32 110.742 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -52.36 -47.92 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 122.029 0.918 . . . . 0.21 112.081 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.37 -47.55 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-N 113.537 -1.665 . . . . 0.22 111.882 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -43.53 98.6 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 1.32 110.706 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -45.59 92.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.794 0.725 . . . . 0.83 109.65 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.465 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -70.81 -34.56 71.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 118.626 -0.702 . . . . 0.19 110.692 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.46 -43.74 96.59 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.777 1.626 . . . . 0.63 110.021 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ARG . . . . . 0.464 ' CD ' ' C ' ' A' ' 461' ' ' ARG . 0.1 OUTLIER -71.16 -47.61 56.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.057 -1.429 . . . . 2.92 112.551 -179.356 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -56.12 -40.98 74.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.99 -1.115 . . . . 0.44 107.99 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 27.8 m -80.85 -24.88 38.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.975 0.417 . . . . 0.33 109.976 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.79 -46.12 94.31 Favored Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.274 -0.73 . . . . 0.27 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 122.327 1.06 . . . . 0.62 112.65 -179.786 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 20.6 m -63.77 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.058 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.109 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 88.5 mt -61.83 -42.28 98.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.186 0.517 . . . . 1.0 110.9 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.77 76.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.001 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.08 -41.62 99.45 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.32 0.859 . . . . 1.0 113.32 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.612 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 60.0 p-90 -67.75 -30.56 70.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 118.582 -1.247 . . . . 1.0 110.376 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.612 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.9 t -62.21 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 118.745 0.702 . . . . 1.0 109.371 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.73 -41.25 99.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.05 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.849 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.65 -39.46 94.4 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.986 -0.286 . . . . 1.0 110.453 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.44 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.102 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.0 mm -62.85 -43.78 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.629 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -62.78 -45.06 94.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.01 -0.676 . . . . 1.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 456' ' ' VAL . 96.2 mt -64.52 -40.81 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.0 110.513 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 30.0 m -63.82 -47.95 78.76 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 119.731 -0.787 . . . . 1.0 110.56 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -42.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.648 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.44 -43.49 83.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.239 0.542 . . . . 1.0 111.694 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 452' ' ' LEU . 67.4 t -63.24 -45.36 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.126 -0.943 . . . . 1.0 111.85 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.968 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.34 -43.66 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.959 -0.697 . . . . 1.0 109.908 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.19 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.212 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.95 -43.48 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.209 -0.596 . . . . 1.0 109.738 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.2 -42.25 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.609 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 465' ' ' ILE . 89.2 t80 -59.81 -46.53 88.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.5 m -76.12 -22.03 55.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.15 91.59 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.7 tt . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 16.1 m -63.97 -39.92 95.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.882 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.02 -43.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.229 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 86.0 mt -61.84 -42.21 98.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.255 0.55 . . . . 1.0 110.961 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.37 78.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.553 -0.749 . . . . 1.0 112.207 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.7 mtt -63.09 -41.82 99.47 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.484 0.92 . . . . 1.0 113.484 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.585 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 63.0 p-90 -67.57 -31.6 71.78 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.686 -1.206 . . . . 1.0 110.614 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.585 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 53.4 t -62.09 -45.13 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.676 . . . . 1.0 109.262 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.91 -43.05 99.64 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.07 -0.652 . . . . 1.0 109.286 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.12 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 1.0 111.354 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.13 -38.66 91.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 121.047 -0.261 . . . . 1.0 111.249 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.02 -43.73 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.325 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.59 -43.25 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 1.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.56 -43.91 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.821 -0.351 . . . . 1.0 111.449 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -63.03 -44.46 95.84 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.509 -0.877 . . . . 1.0 110.675 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.5 mt -63.89 -41.5 97.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 1.0 110.696 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -63.19 -47.8 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.108 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.67 -43.09 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.115 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.68 85.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.308 0.575 . . . . 1.0 111.537 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 452' ' ' LEU . 68.2 t -63.16 -45.72 97.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.102 -0.953 . . . . 1.0 111.684 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.61 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.934 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.13 -43.6 97.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.8 -0.76 . . . . 1.0 109.898 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.08 78.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.112 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 1.0 109.678 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -42.27 97.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.244 -0.889 . . . . 1.0 109.785 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.75 -46.47 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 1.0 109.897 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.65 -22.92 56.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.75 91.92 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 111.745 0.276 . . . . 1.0 111.745 -179.144 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -67.65 -35.69 79.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.96 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.56 -43.57 96.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.516 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.18 -43.45 98.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.442 0.639 . . . . 1.0 110.59 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.81 84.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.941 -1.027 . . . . 1.0 111.878 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.77 -42.95 97.68 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.543 0.942 . . . . 1.0 113.543 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.485 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 55.3 p-90 -69.07 -31.83 70.87 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 118.152 -1.419 . . . . 1.0 110.017 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.485 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 60.1 t -61.77 -45.64 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 118.693 0.679 . . . . 1.0 109.621 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.8 -42.2 99.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.72 93.08 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.164 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -38.67 91.93 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.08 -0.248 . . . . 1.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 4.0 mm -61.72 -43.94 97.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.551 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.82 -41.99 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.07 -44.78 99.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.701 -0.4 . . . . 1.0 111.097 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -63.91 -43.85 94.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.704 -0.798 . . . . 1.0 110.613 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.01 -41.76 97.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -63.37 -47.56 81.55 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.65 0.738 . . . . 1.0 110.475 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.1 -42.81 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.074 -0.966 . . . . 1.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.06 82.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.801 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.161 -0.927 . . . . 1.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.503 HD13 HD23 ' A' ' 460' ' ' LEU . 3.0 mm? -62.69 -42.54 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.326 -0.549 . . . . 1.0 110.941 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.07 -43.7 97.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.852 -0.739 . . . . 1.0 109.91 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.13 79.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.034 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.93 -43.42 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.584 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.28 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.189 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' PHE . . . . . 0.667 ' O ' HG22 ' A' ' 465' ' ' ILE . 86.4 t80 -59.58 -45.69 91.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.263 -0.881 . . . . 1.0 110.304 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 86.1 m -78.08 -21.77 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.75 94.77 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.449 -1.06 . . . . 1.0 110.449 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.7 tt . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.551 0.215 . . . . 1.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -68.08 -35.8 78.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.103 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.46 -43.47 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.799 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.62 -43.01 99.66 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.497 0.665 . . . . 1.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.87 76.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.225 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.073 0.768 . . . . 1.0 113.073 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.799 ' HE1' HD12 ' A' ' 440' ' ' LEU . 59.8 p-90 -66.6 -30.11 70.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 118.333 -1.347 . . . . 1.0 110.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.617 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 55.2 t -62.66 -46.32 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 118.722 0.692 . . . . 1.0 109.836 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.86 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.618 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 447' ' ' LEU . 94.7 mt -63.7 -37.72 88.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.176 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.92 -41.54 91.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.565 1.174 . . . . 1.0 108.687 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.06 -43.41 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 114.922 -1.035 . . . . 1.0 110.119 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.24 -45.12 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.088 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.52 -43.19 97.9 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.007 -1.077 . . . . 1.0 110.954 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.6 mt -64.52 -41.39 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.329 0.585 . . . . 1.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.7 m -63.16 -48.26 79.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.04 -0.982 . . . . 1.0 110.189 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -42.79 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.0 80.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.66 0.743 . . . . 1.0 111.649 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.6 t -62.66 -45.99 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.706 -1.133 . . . . 1.0 111.706 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.72 -43.08 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.577 -0.449 . . . . 1.0 111.131 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.32 -43.57 97.4 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.01 -0.676 . . . . 1.0 109.874 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.261 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.35 -43.08 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.232 -0.587 . . . . 1.0 109.789 -179.499 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.64 -42.82 98.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.393 -0.821 . . . . 1.0 109.885 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.52 -46.07 91.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.64 -27.2 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.186 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.01 -40.52 97.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.712 -0.756 . . . . 1.0 111.424 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.632 0.253 . . . . 1.0 111.003 -179.534 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.003 0.43 . . . . 1.0 109.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 48.3 m -63.58 -41.04 98.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.132 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.21 -43.31 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.816 HD12 ' HE1' ' A' ' 443' ' ' TRP . 14.8 tp -61.05 -43.54 98.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 1.0 109.844 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.69 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.139 -0.937 . . . . 1.0 112.241 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.56 -41.69 98.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.816 ' HE1' HD12 ' A' ' 440' ' ' LEU . 60.7 p-90 -66.89 -30.82 71.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.177 -1.409 . . . . 1.0 109.711 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.446 HG22 ' CH2' ' A' ' 443' ' ' TRP . 61.8 t -61.21 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.64 0.654 . . . . 1.0 109.756 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.37 -42.33 99.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.601 -0.44 . . . . 1.0 109.816 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.85 88.58 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.856 -0.338 . . . . 1.0 111.288 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.42 -38.5 91.25 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.548 -0.461 . . . . 1.0 111.206 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -42.87 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.321 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.23 -42.48 96.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.899 -1.046 . . . . 1.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.74 -43.72 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 120.869 0.366 . . . . 1.0 111.593 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.58 -47.0 85.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 119.38 -0.928 . . . . 1.0 111.149 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 456' ' ' VAL . 10.0 mp -64.16 -40.4 96.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.17 0.51 . . . . 1.0 111.813 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.1 m -62.59 -48.35 79.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.454 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.91 -39.28 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.121 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.37 -43.76 92.81 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.338 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.3 t -63.23 -45.6 97.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.704 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.78 -42.6 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.938 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.78 -43.41 96.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.734 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.01 78.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.268 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.1 -43.32 99.06 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.801 -179.549 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.99 -42.76 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.732 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.58 -45.48 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.5 m -75.92 -25.99 56.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.214 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.25 -39.26 94.35 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.23 0.538 . . . . 1.0 110.155 -179.85 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.943 0.401 . . . . 1.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 74.3 p -67.72 -35.17 78.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.101 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.97 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.479 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.6 mt -61.87 -41.99 98.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 1.0 110.776 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.45 75.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.871 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.85 -42.08 99.61 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.36 0.874 . . . . 1.0 113.36 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.597 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 60.5 p-90 -67.16 -30.66 70.69 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 118.747 -1.181 . . . . 1.0 110.419 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.597 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 61.4 t -62.35 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 118.728 0.695 . . . . 1.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.31 -41.48 98.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.516 -0.549 . . . . 1.0 109.516 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.62 90.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.422 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.111 -0.235 . . . . 1.0 111.187 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.18 -44.45 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.891 -0.724 . . . . 1.0 111.666 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 25.8 m -66.47 -38.3 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.416 0.524 . . . . 1.0 112.416 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 6.5 tt -64.74 -41.36 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.575 -0.85 . . . . 1.0 111.438 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.83 -43.36 96.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.952 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 456' ' ' VAL . 93.9 mt -64.13 -41.23 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.349 0.595 . . . . 1.0 111.185 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.9 m -64.42 -47.08 80.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.354 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -41.86 90.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.115 -0.948 . . . . 1.0 110.394 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.04 88.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 452' ' ' LEU . 78.6 t -63.31 -45.37 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 114.998 -1.001 . . . . 1.0 111.623 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 457' ' ' LEU . 88.4 mt -62.65 -42.84 99.83 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.891 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.6 -43.78 95.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.072 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.19 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.78 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.311 0.577 . . . . 1.0 109.733 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -64.37 -42.42 96.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.525 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.03 -45.79 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.114 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -75.82 -23.75 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.09 93.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.415 ' O ' HD13 ' A' ' 465' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.778 -0.211 . . . . 1.0 110.672 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.2 p -66.68 -33.89 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.39 -43.84 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.789 HD13 ' HE1' ' A' ' 443' ' ' TRP . 3.2 mm? -61.79 -41.73 98.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.161 0.505 . . . . 1.0 110.896 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.0 76.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.058 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.8 mtt -63.27 -41.46 99.01 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.177 0.806 . . . . 1.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.789 ' HE1' HD13 ' A' ' 440' ' ' LEU . 61.6 p-90 -67.55 -31.01 70.79 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 118.314 -1.355 . . . . 1.0 110.163 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.599 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 56.4 t -61.3 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.641 0.655 . . . . 1.0 109.362 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.38 -41.73 98.86 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.368 -0.533 . . . . 1.0 109.66 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.13 95.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.07 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.44 -38.84 92.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.087 -0.245 . . . . 1.0 110.849 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.05 -43.81 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 119.884 -0.727 . . . . 1.0 110.636 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.22 -42.41 96.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.47 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 120.027 -0.669 . . . . 1.0 111.879 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -61.58 -44.75 96.44 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.05 -41.07 97.5 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.702 0.287 . . . . 1.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.6 m -63.2 -47.02 84.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.073 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.08 -38.26 81.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.538 0.685 . . . . 1.0 111.077 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.41 -44.06 92.92 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.84 -1.073 . . . . 1.0 110.561 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.9 -44.53 98.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.052 -0.976 . . . . 1.0 111.561 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.33 -43.11 99.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.259 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.14 -43.66 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.813 -0.755 . . . . 1.0 109.678 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.137 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -42.83 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.362 0.601 . . . . 1.0 109.778 -179.59 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -61.96 -42.78 99.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.043 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.09 -46.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.874 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -70.83 -27.66 64.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.103 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.49 -40.96 94.47 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.521 -0.631 . . . . 1.0 111.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 1.0 111.01 -179.449 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.232 0.159 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 37.6 t -64.82 -39.97 94.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.866 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.63 -43.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.28 -42.96 99.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.475 0.655 . . . . 1.0 109.916 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.73 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.169 -0.923 . . . . 1.0 112.023 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.69 -42.85 97.94 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.634 0.976 . . . . 1.0 113.634 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.1 p-90 -68.51 -30.98 69.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.009 -1.477 . . . . 1.0 109.711 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.448 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 57.8 t -61.45 -45.61 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 118.783 0.719 . . . . 1.0 109.486 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.65 -42.08 99.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.57 -0.452 . . . . 1.0 109.867 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.62 92.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.791 0.329 . . . . 1.0 110.977 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.8 -40.04 95.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.504 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.43 -44.17 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 120.375 -0.53 . . . . 1.0 111.99 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 20.8 m -65.02 -35.45 75.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.748 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 27.4 mm -62.93 -43.94 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -62.25 -47.28 85.06 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 452' ' ' LEU . 10.5 mp -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.377 -0.529 . . . . 1.0 111.965 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.7 m -61.8 -48.32 81.14 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.975 -0.69 . . . . 1.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.72 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.092 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.78 90.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.259 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.69 -47.02 94.87 Favored 'Isoleucine or valine' 0 C--O 1.23 0.039 0 CA-C-N 115.824 -0.626 . . . . 1.0 112.607 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 457' ' ' LEU . 10.9 mp -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.345 -0.542 . . . . 1.0 111.608 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.23 -43.7 97.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.633 -0.827 . . . . 1.0 110.022 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.36 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.14 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.049 -0.66 . . . . 1.0 109.865 -179.514 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -44.06 97.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.637 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.63 -45.47 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.384 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.85 -25.0 58.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.15 97.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 1.0 109.935 179.317 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.142 0.496 . . . . 1.0 109.677 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.5 m -64.21 -41.04 97.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.34 -0.846 . . . . 1.0 109.973 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.18 -43.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.801 HD12 ' HE1' ' A' ' 443' ' ' TRP . 13.3 tp -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.532 0.682 . . . . 1.0 110.026 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.93 80.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.387 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.4 mtt -63.11 -41.48 99.36 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.223 0.823 . . . . 1.0 113.223 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.801 ' HE1' HD12 ' A' ' 440' ' ' LEU . 58.6 p-90 -66.67 -29.82 69.93 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 118.349 -1.34 . . . . 1.0 110.234 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.591 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 54.6 t -62.35 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 118.881 0.764 . . . . 1.0 109.773 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.48 -41.19 98.61 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.191 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.84 98.94 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 120.211 -0.596 . . . . 1.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.98 -36.02 82.59 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 122.232 -0.293 . . . . 1.0 110.559 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -63.45 -42.44 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-O 121.502 0.667 . . . . 1.0 110.146 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.81 -42.34 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-N 114.417 -1.265 . . . . 1.0 109.362 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.41 -45.37 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 120.198 -0.601 . . . . 1.0 111.927 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.153 -0.619 . . . . 1.0 110.939 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.4 mt -63.37 -41.75 98.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.903 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.28 -48.14 79.4 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.851 -0.739 . . . . 1.0 110.165 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.36 -42.77 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.039 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 1.0 111.78 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 452' ' ' LEU . 65.5 t -62.98 -45.58 98.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 114.97 -1.014 . . . . 1.0 111.798 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -42.75 99.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.929 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.16 -43.61 97.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.793 -0.763 . . . . 1.0 109.825 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.17 79.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.209 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.71 -42.67 99.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.524 0.678 . . . . 1.0 109.947 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -62.47 -42.8 99.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.48 -47.01 88.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.173 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.48 -26.05 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.73 68.22 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.522 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.497 0.555 . . . . 1.0 112.497 -178.063 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 24.0 m -63.4 -40.32 96.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.996 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.37 -43.49 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.797 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.8 tp -61.09 -43.15 99.32 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.521 0.677 . . . . 1.0 109.857 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.48 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.981 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.9 mmm -63.04 -41.8 99.6 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.338 0.866 . . . . 1.0 113.338 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.797 ' HE1' HD12 ' A' ' 440' ' ' LEU . 58.9 p-90 -67.23 -30.13 69.96 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.598 -1.241 . . . . 1.0 110.143 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.62 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 63.0 t -62.32 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 118.627 0.648 . . . . 1.0 109.444 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.66 -41.29 98.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.39 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.3 -38.09 89.82 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.568 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.64 -43.85 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.102 0.477 . . . . 1.0 110.421 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.89 -39.89 87.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.072 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.59 -43.84 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.951 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -61.15 -44.59 97.08 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.933 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 456' ' ' VAL . 86.8 mt -65.64 -40.83 92.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 21.3 m -65.02 -49.04 71.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.666 -0.697 . . . . 1.0 112.009 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.6 tt -69.35 -37.93 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.772 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.15 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.384 0.611 . . . . 1.0 111.042 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 452' ' ' LEU . 68.6 t -63.17 -45.38 98.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 114.898 -1.046 . . . . 1.0 111.461 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.52 -42.97 99.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.609 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -43.69 95.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.456 -0.897 . . . . 1.0 109.947 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.92 -38.9 76.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 1.045 HD13 ' N ' ' A' ' 461' ' ' ARG . 0.0 OUTLIER -62.44 -39.47 93.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.948 0.795 . . . . 1.0 109.208 -178.49 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ARG . . . . . 1.045 ' N ' HD13 ' A' ' 460' ' ' LEU . 7.5 tmm_? -63.59 -42.25 98.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.619 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.06 -45.48 92.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.779 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 76.7 m -74.16 -25.41 59.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.96 0.41 . . . . 1.0 110.065 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.03 94.6 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 1.0 110.698 -179.544 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 109.503 -0.555 . . . . 1.0 109.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 72.6 p -66.3 -37.58 85.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.601 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.091 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.885 HD12 ' HE1' ' A' ' 443' ' ' TRP . 57.6 tp -60.94 -44.26 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 1.0 110.468 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.27 96.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.185 -0.916 . . . . 1.0 112.309 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.4 mtt -64.45 -43.91 92.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.885 ' HE1' HD12 ' A' ' 440' ' ' LEU . 19.4 p-90 -69.82 -32.16 70.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 118.991 -1.084 . . . . 1.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.08 -45.01 99.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 119.39 0.995 . . . . 1.0 109.076 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.3 -41.49 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.181 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.95 99.62 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.507 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.67 -39.25 93.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.423 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.81 -43.26 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.177 -0.609 . . . . 1.0 109.931 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.46 -43.7 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.716 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.79 -44.13 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.545 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -61.31 -45.01 96.25 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.783 -0.767 . . . . 1.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 456' ' ' VAL . 89.3 mt -63.85 -41.21 97.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 1.0 111.123 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.2 m -63.2 -48.38 78.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.366 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 31.6 mm -64.0 -42.76 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.697 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.18 79.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.641 . . . . 1.0 111.24 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.8 t -62.88 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.099 -0.955 . . . . 1.0 111.806 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.75 -42.52 99.72 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.922 -0.711 . . . . 1.0 111.188 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.07 -43.43 98.6 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.664 -0.814 . . . . 1.0 109.737 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.87 -37.45 79.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.231 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.8 -43.4 98.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.181 -0.608 . . . . 1.0 109.667 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -64.49 -42.03 96.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.419 -0.81 . . . . 1.0 109.547 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' PHE . . . . . 0.648 ' O ' HG22 ' A' ' 465' ' ' ILE . 85.8 t80 -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.046 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.4 m -78.64 -21.5 48.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.75 -40.03 93.73 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.262 -1.135 . . . . 1.0 110.262 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.2 tt . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.566 0.222 . . . . 1.0 110.927 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.299 0.571 . . . . 1.0 109.838 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 10.1 t -64.1 -41.15 97.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.402 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.37 -42.5 95.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.891 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.768 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.2 tp -60.72 -42.35 97.12 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.52 0.676 . . . . 1.0 109.211 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.27 73.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.593 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.73 -41.62 98.02 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.617 0.969 . . . . 1.0 113.617 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.768 ' HE1' HD12 ' A' ' 440' ' ' LEU . 60.3 p-90 -67.63 -29.93 69.37 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 118.342 -1.343 . . . . 1.0 109.9 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.632 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 71.5 t -62.44 -45.5 98.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 118.947 0.794 . . . . 1.0 109.192 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.19 -41.57 98.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 447' ' ' LEU . 87.9 mt -63.72 -39.59 94.68 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.68 -43.15 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.345 0.593 . . . . 1.0 109.815 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.57 -43.25 98.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 1.0 110.074 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.93 -43.82 99.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 119.552 -0.261 . . . . 1.0 111.638 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -60.54 -45.16 94.91 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 119.917 -0.713 . . . . 1.0 111.082 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 456' ' ' VAL . 90.6 mt -64.2 -40.57 96.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.957 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.6 m -62.83 -47.19 84.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.488 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 455' ' ' ALA . 42.1 pt -68.27 -40.71 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.796 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 454' ' ' ILE . . . -55.65 -44.73 77.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.397 0.618 . . . . 1.0 111.246 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 452' ' ' LEU . 72.9 t -63.41 -44.86 99.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 114.793 -1.094 . . . . 1.0 111.378 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.32 -43.03 99.76 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.402 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.32 -43.26 98.3 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.159 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.27 77.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.878 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.66 -43.23 97.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.152 -0.619 . . . . 1.0 109.967 -178.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -62.83 -42.13 99.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.553 -0.749 . . . . 1.0 109.765 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.166 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.6 m -75.77 -26.0 56.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.194 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.59 95.34 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.955 0.407 . . . . 1.0 110.404 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.476 -0.564 . . . . 1.0 109.476 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.2 t -64.28 -42.21 96.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.937 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.04 -43.51 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.792 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.39 -42.95 99.54 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.454 0.645 . . . . 1.0 109.96 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.53 75.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.01 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.5 mtt -63.26 -41.65 99.07 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.353 0.871 . . . . 1.0 113.353 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.792 ' HE1' HD12 ' A' ' 440' ' ' LEU . 59.4 p-90 -67.1 -30.17 70.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 118.63 -1.228 . . . . 1.0 110.04 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.619 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.2 t -62.57 -45.82 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 118.655 0.661 . . . . 1.0 109.377 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.4 -41.61 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.49 95.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.816 -0.353 . . . . 1.0 110.822 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.9 -38.29 90.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.111 -0.236 . . . . 1.0 110.709 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.53 -43.21 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.296 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.23 -42.38 95.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.535 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 450' ' ' ILE . 36.9 mm -64.22 -44.44 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.492 -0.883 . . . . 1.0 111.048 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -60.9 -44.76 96.69 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.619 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 456' ' ' VAL . 91.9 mt -65.34 -41.94 93.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.059 0.457 . . . . 1.0 111.838 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -48.94 72.7 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.918 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 455' ' ' ALA . 20.4 tt -69.47 -38.67 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.982 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 454' ' ' ILE . . . -58.98 -43.84 91.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.444 0.64 . . . . 1.0 111.174 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.8 t -63.22 -45.55 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 114.827 -1.079 . . . . 1.0 111.607 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.67 -42.66 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.77 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.13 -43.74 97.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.875 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.26 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.215 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.465 0.65 . . . . 1.0 109.698 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.723 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 462' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 465' ' ' ILE . 90.1 t80 -59.65 -47.71 84.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.194 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.9 m -71.01 -22.75 62.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.87 88.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.5 tt . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 111.802 0.297 . . . . 1.0 111.802 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.952 0.406 . . . . 1.0 110.359 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.3 m -69.38 -43.16 74.09 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 m -66.93 -38.68 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 119.958 -0.697 . . . . 1.0 111.324 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.525 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 79.9 mt -62.51 -41.96 99.18 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.097 0.475 . . . . 1.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.04 73.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 1.0 111.96 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.05 -41.78 97.27 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.912 1.079 . . . . 1.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 440' ' ' LEU . 62.7 p-90 -69.0 -36.63 78.04 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.533 1.061 . . . . 1.0 111.802 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.402 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 5.0 p -62.59 -41.65 92.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.568 1.076 . . . . 1.0 110.106 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.35 -41.67 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.78 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.173 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.38 -39.04 93.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.607 -0.27 . . . . 1.0 110.31 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 448' ' ' ILE . 30.3 mm -61.68 -43.5 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.283 0.563 . . . . 1.0 110.18 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.26 -42.73 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.6 -43.03 98.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-O 119.747 -0.168 . . . . 1.0 111.19 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -63.46 -44.85 93.29 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.926 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 456' ' ' VAL . 3.2 mm? -63.94 -40.52 96.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.306 0.574 . . . . 1.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -63.13 -47.6 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.88 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.88 -42.7 95.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.73 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.36 79.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.377 0.608 . . . . 1.0 111.476 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 452' ' ' LEU . 62.1 t -63.06 -46.53 95.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.13 -0.941 . . . . 1.0 111.831 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.53 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.948 -0.701 . . . . 1.0 111.149 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.04 -43.8 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.602 -0.839 . . . . 1.0 110.068 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.89 -36.92 78.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.16 -42.96 99.5 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.188 -0.605 . . . . 1.0 109.707 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.95 -42.76 99.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 1.0 109.723 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.46 -46.06 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.84 -27.16 61.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.47 97.16 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.823 -0.703 . . . . 1.0 111.407 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.71 0.291 . . . . 1.0 111.062 -179.526 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 19.0 m -63.63 -40.19 96.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.123 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.99 -43.69 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.209 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.4 mt -61.79 -42.26 98.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.317 0.579 . . . . 1.0 110.951 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.78 76.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.395 -0.82 . . . . 1.0 112.037 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.28 -41.7 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.188 0.81 . . . . 1.0 113.188 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.597 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 61.8 p-90 -67.57 -31.45 71.52 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.479 -1.288 . . . . 1.0 110.098 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.597 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 57.8 t -61.45 -45.93 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 118.766 0.712 . . . . 1.0 109.512 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -42.06 98.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.49 89.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 443' ' ' TRP . 10.8 mp -63.91 -40.16 95.84 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.091 -0.244 . . . . 1.0 111.637 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 448' ' ' ILE . 28.8 mm -62.14 -43.98 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 119.189 -1.004 . . . . 1.0 110.454 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.08 -43.76 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.514 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.06 -43.59 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 112.653 0.612 . . . . 1.0 112.653 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.3 -45.63 92.39 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.92 -35.94 81.12 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.565 0.698 . . . . 1.0 112.808 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.7 m -65.44 -45.77 82.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.484 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 46.3 pt -70.47 -28.74 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 120.647 -0.421 . . . . 1.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.21 98.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.63 -0.713 . . . . 1.0 111.509 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.14 -45.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.046 -0.979 . . . . 1.0 111.932 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 457' ' ' LEU . 10.9 mp -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.368 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.26 -43.71 97.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.592 -0.843 . . . . 1.0 109.875 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.12 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.225 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.77 -43.65 97.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.126 -0.63 . . . . 1.0 109.746 -179.472 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.69 95.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.613 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.71 -45.44 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.232 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 84.2 m -77.57 -25.26 49.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.233 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.44 95.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.301 0.572 . . . . 1.0 109.742 179.213 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.86 0.362 . . . . 1.0 111.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 50.6 m -63.01 -41.18 99.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.428 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.93 -43.53 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.193 0.52 . . . . 1.0 111.147 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.88 75.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.653 -0.703 . . . . 1.0 112.156 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.84 -41.63 99.41 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.345 0.868 . . . . 1.0 113.345 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.595 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.6 p-90 -67.25 -30.54 70.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.438 -1.305 . . . . 1.0 110.332 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.595 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.0 t -61.83 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 118.732 0.697 . . . . 1.0 109.635 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.79 -40.42 97.28 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.32 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.75 94.02 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.168 -0.213 . . . . 1.0 110.637 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -40.15 96.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.565 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.3 -42.44 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.504 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.64 -43.26 98.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.17 -44.23 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.256 -0.578 . . . . 1.0 110.764 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.78 -44.35 96.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.69 -0.804 . . . . 1.0 111.325 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -41.4 96.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.192 0.52 . . . . 1.0 110.95 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.81 -47.48 80.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.58 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.77 -40.3 87.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.625 0.726 . . . . 1.0 110.374 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.49 89.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.07 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.44 -45.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.18 -0.918 . . . . 1.0 112.002 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.66 -43.08 99.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.994 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.57 -43.59 96.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.921 -0.712 . . . . 1.0 109.867 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.74 -37.24 79.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.304 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.785 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.97 -43.41 98.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.87 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.66 95.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.675 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.77 -45.51 94.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.28 -27.05 52.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.389 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.34 86.18 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.877 0.37 . . . . 1.0 110.664 -179.655 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.9 t -63.92 -41.9 97.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.187 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.68 -43.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.276 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.7 mt -61.82 -42.29 98.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 1.0 110.819 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.56 75.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.817 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -41.61 99.29 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.612 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 62.1 p-90 -67.67 -31.41 71.36 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 118.515 -1.274 . . . . 1.0 110.243 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.612 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 65.6 t -61.22 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 118.921 0.782 . . . . 1.0 109.331 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.08 -41.15 97.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 443' ' ' TRP . 10.6 mp -63.66 -39.54 94.59 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 1.0 111.424 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -62.24 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.464 0.65 . . . . 1.0 110.255 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.29 -43.6 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.441 -0.8 . . . . 1.0 110.3 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.12 -43.89 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 121.117 -0.233 . . . . 1.0 111.545 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -59.17 -45.73 90.26 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 119.776 -0.77 . . . . 1.0 111.699 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 456' ' ' VAL . 4.0 mm? -67.23 -36.3 81.37 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.489 0.661 . . . . 1.0 111.27 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 46.1 m -67.81 -49.98 59.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 118.813 -1.155 . . . . 1.0 111.592 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.3 tt -69.22 -38.8 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.51 81.17 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.493 0.663 . . . . 1.0 110.9 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.0 t -63.72 -44.63 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.613 -0.435 . . . . 1.0 111.415 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.18 -42.78 99.44 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.119 -1.033 . . . . 1.0 109.802 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.97 80.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.987 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.44 -42.68 99.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.618 . . . . 1.0 109.806 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.94 -42.62 99.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.234 -0.893 . . . . 1.0 109.935 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.03 -46.17 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.98 -27.3 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.932 0.396 . . . . 1.0 109.976 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.5 91.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 1.0 110.701 -179.457 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.088 0.471 . . . . 1.0 109.8 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -64.36 -42.15 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.921 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.95 -43.69 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.989 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 tt -61.36 -43.5 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 1.0 111.173 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.18 82.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.406 -0.815 . . . . 1.0 112.26 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.84 -41.98 97.7 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.406 0.891 . . . . 1.0 113.406 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.553 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.3 p-90 -68.44 -31.26 70.44 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 118.283 -1.367 . . . . 1.0 110.21 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.553 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 64.7 t -61.61 -45.49 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 118.692 0.678 . . . . 1.0 109.406 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -41.82 98.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.671 -0.492 . . . . 1.0 109.671 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.41 93.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.015 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.72 -38.67 91.98 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.599 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.88 -44.48 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.574 0.702 . . . . 1.0 110.007 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.79 -39.34 85.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.944 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.61 -44.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.929 -0.308 . . . . 1.0 111.079 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -62.01 -44.79 95.98 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.723 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 456' ' ' VAL . 89.9 mt -65.03 -41.69 95.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.309 0.576 . . . . 1.0 111.745 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 20.2 m -64.52 -50.19 68.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.29 -0.868 . . . . 1.0 111.713 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 455' ' ' ALA . 20.6 tt -69.37 -39.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.986 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 454' ' ' ILE . . . -57.67 -40.7 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.529 0.68 . . . . 1.0 110.52 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 452' ' ' LEU . 69.2 t -63.07 -45.02 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.718 -1.128 . . . . 1.0 111.264 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.323 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.34 -42.87 98.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.146 -1.022 . . . . 1.0 110.101 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.43 80.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.162 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.48 -42.77 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 1.0 109.793 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.27 -42.71 99.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.978 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.721 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.1 -26.98 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.895 0.379 . . . . 1.0 110.049 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.21 -40.69 92.39 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.672 0.272 . . . . 1.0 110.951 -179.314 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.1 t -64.38 -42.3 96.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.954 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.08 -43.09 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.767 HD12 ' HE1' ' A' ' 443' ' ' TRP . 13.4 tp -60.8 -42.26 97.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.491 0.662 . . . . 1.0 109.671 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 444' ' ' VAL . . . -61.25 -35.69 77.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.545 -0.752 . . . . 1.0 112.759 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -64.28 -42.0 96.64 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.115 1.154 . . . . 1.0 114.115 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.767 ' HE1' HD12 ' A' ' 440' ' ' LEU . 62.5 p-90 -67.62 -37.73 82.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 118.951 -1.1 . . . . 1.0 111.325 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 441' ' ' ALA . 5.3 p -61.77 -41.41 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 119.496 1.044 . . . . 1.0 110.265 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.09 -41.79 98.55 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.49 95.28 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 -38.78 92.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 448' ' ' ILE . 30.4 mm -62.56 -43.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.423 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.05 -42.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.303 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.01 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.941 -0.474 . . . . 1.0 111.958 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.07 -46.36 89.44 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.961 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 456' ' ' VAL . 10.4 mp -66.17 -39.32 89.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.109 0.481 . . . . 1.0 112.164 178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -64.75 -49.33 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.61 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.12 -38.33 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.881 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.69 76.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.355 0.598 . . . . 1.0 110.895 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 452' ' ' LEU . 64.9 t -62.7 -45.56 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.122 -0.944 . . . . 1.0 111.527 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.615 HD13 HD23 ' A' ' 460' ' ' LEU . 3.5 mm? -62.27 -42.98 99.81 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.511 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.13 -43.01 99.55 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.284 -0.967 . . . . 1.0 110.082 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.07 79.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.963 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.5 -43.45 97.02 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.304 -0.558 . . . . 1.0 109.792 -179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -63.58 -42.42 98.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.52 -0.763 . . . . 1.0 109.734 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.3 -45.35 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.092 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.1 m -76.52 -24.54 53.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.34 95.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.373 0.606 . . . . 1.0 109.846 179.252 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 73.6 p -65.58 -35.02 79.62 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.12 -43.17 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.178 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 440' ' ' LEU . . . . . 0.795 HD12 ' HE1' ' A' ' 443' ' ' TRP . 55.6 tp -60.76 -43.86 97.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.485 0.66 . . . . 1.0 110.121 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.19 97.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.606 -1.179 . . . . 1.0 112.385 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.2 -43.73 85.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.511 0.93 . . . . 1.0 113.511 -177.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.795 ' HE1' HD12 ' A' ' 440' ' ' LEU . 13.6 p-90 -72.31 -35.62 68.69 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 118.958 -1.097 . . . . 1.0 111.956 -178.208 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.75 -40.43 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.937 1.244 . . . . 1.0 109.404 178.605 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -41.28 98.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.237 178.585 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.54 97.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.288 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.47 -41.12 98.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.06 178.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.8 -43.97 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.003 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 449' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 453' ' ' THR . 76.1 t -63.12 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 1.0 112.695 -178.435 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 38.9 pt -64.62 -42.12 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.332 -177.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -60.27 -44.69 95.11 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.01 -40.61 98.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 1.0 110.883 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 449' ' ' VAL . 54.5 p -64.16 -44.81 90.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.03 -42.93 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.267 -0.879 . . . . 1.0 111.248 179.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.89 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 1.0 111.574 -178.359 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.66 -46.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 1.0 111.797 -178.542 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.505 HD13 HD23 ' A' ' 460' ' ' LEU . 3.0 mm? -62.94 -42.52 99.84 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.846 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -44.19 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.432 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.21 78.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.198 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -42.78 99.16 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.503 0.668 . . . . 1.0 109.897 -179.493 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.49 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.015 -0.993 . . . . 1.0 108.95 178.728 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.82 -46.18 90.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 1.0 110.543 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -66.09 -38.62 94.15 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.871 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 1.0 110.402 -179.495 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.936 -1.266 . . . . 8.99 109.936 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.56 26.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.016 -0.365 . . . . 11.23 110.016 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ARG . . . . . 0.533 ' O ' ' OG ' ' A' ' 433' ' ' SER . 0.0 OUTLIER -51.59 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.674 -0.861 . . . . 10.75 108.674 179.551 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.533 ' OG ' ' O ' ' A' ' 432' ' ' ARG . 14.7 m -178.56 -37.52 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.466 0.65 . . . . 4.7 110.889 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 434' ' ' TRP . 5.9 m95 -53.82 86.86 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.848 1.795 . . . . 8.56 115.848 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 437' ' ' GLU . 2.2 m-20 -78.45 93.96 4.84 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 103.619 -2.734 . . . . 3.03 103.619 173.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 435' ' ' ASP . 4.7 p -44.0 -18.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.1 -0.704 . . . . 0.96 109.1 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 435' ' ' ASP . 85.3 mt-10 -51.05 -42.92 60.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.466 0.65 . . . . 1.92 110.89 176.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 2.9 m -67.36 -43.69 80.84 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 114.338 -1.301 . . . . 1.31 111.07 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.28 -41.93 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.754 -1.202 . . . . 0.74 107.754 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.476 ' HA ' ' NE1' ' A' ' 443' ' ' TRP . 0.2 OUTLIER -60.43 -46.56 89.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.589 1.185 . . . . 2.06 108.747 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.11 80.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.156 -1.838 . . . . 0.2 112.464 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 68.1 mtp -65.2 -41.42 94.56 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.999 -0.438 . . . . 1.73 112.103 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.509 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 33.8 p-90 -69.21 -28.66 66.56 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.463 -1.398 . . . . 0.5 110.059 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.509 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 90.5 t -64.09 -46.98 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 121.183 1.81 . . . . 0.83 108.448 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 14.0 tp -62.03 -42.41 99.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.407 0.548 . . . . 1.8 110.49 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.65 99.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.734 -0.604 . . . . 0.17 110.512 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.09 -36.16 81.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 119.042 -0.504 . . . . 1.44 111.014 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.84 -43.44 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.465 1.029 . . . . 1.27 109.205 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.9 t -63.24 -41.96 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.043 -1.435 . . . . 0.83 110.531 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.68 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.648 -0.658 . . . . 1.3 111.856 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -60.95 -47.62 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.314 -0.554 . . . . 0.58 111.789 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.07 -38.93 89.53 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.478 1.132 . . . . 1.35 111.892 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 27.9 m -59.21 -48.61 80.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 112.114 -2.312 . . . . 0.62 109.2 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.88 -41.89 85.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 1.32 110.742 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -52.36 -47.92 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 122.029 0.918 . . . . 0.21 112.081 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.37 -47.55 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-N 113.537 -1.665 . . . . 0.22 111.882 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -43.53 98.6 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 1.32 110.706 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -45.59 92.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.794 0.725 . . . . 0.83 109.65 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.465 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -70.81 -34.56 71.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 118.626 -0.702 . . . . 0.19 110.692 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.46 -43.74 96.59 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.777 1.626 . . . . 0.63 110.021 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ARG . . . . . 0.464 ' C ' ' CD ' ' A' ' 461' ' ' ARG . 0.1 OUTLIER -71.16 -47.61 56.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.057 -1.429 . . . . 2.92 112.551 -179.356 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -56.12 -40.98 74.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.99 -1.115 . . . . 0.44 107.99 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' CYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 468' ' ' TYR . 27.8 m -80.85 -24.88 38.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.975 0.417 . . . . 0.33 109.976 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.79 -46.12 94.31 Favored Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.274 -0.73 . . . . 0.27 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 14.0 tt -73.11 -18.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.327 1.06 . . . . 0.62 112.65 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.472 ' C ' ' H ' ' A' ' 468' ' ' TYR . 0.4 OUTLIER -77.24 -10.35 59.37 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.229 -1.805 . . . . 3.51 111.122 174.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 72.43 0.47 47.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 105.914 -2.875 . . . . 0.71 105.914 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 470' ' ' LEU . 9.6 t80 -28.61 -45.88 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.694 -0.753 . . . . 5.4 112.185 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.467 ' C ' ' N ' ' A' ' 471' ' ' ARG . 1.2 mmp_? -60.07 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 124.048 0.842 . . . . 9.12 110.971 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' LEU . . . . . 0.686 ' N ' ' O ' ' A' ' 468' ' ' TYR . 0.8 OUTLIER -58.81 -22.9 59.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 104.315 -2.476 . . . . 7.14 104.315 177.065 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ARG . . . . . 0.537 HH11 ' CG ' ' A' ' 471' ' ' ARG . 1.2 ttt-85 -82.19 98.15 8.59 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 112.331 -2.213 . . . . 10.88 112.412 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 472' ' ' ARG . 38.1 ttm-85 -154.1 46.41 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.867 -1.531 . . . . 11.63 106.867 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 87.0 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-N 113.838 -1.528 . . . . 13.23 111.086 -178.251 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.586 -1.406 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.92 144.83 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.746 0.308 . . . . 1.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.91 136.05 42.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.6 t -61.57 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.635 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -109.43 144.03 38.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.655 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.56 112.54 24.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.466 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.6 p -68.08 -18.26 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.535 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 20.6 m -63.77 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.058 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.109 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 88.5 mt -61.83 -42.28 98.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.186 0.517 . . . . 1.0 110.9 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.77 76.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.001 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.08 -41.62 99.45 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.32 0.859 . . . . 1.0 113.32 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.612 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 60.0 p-90 -67.75 -30.56 70.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 118.582 -1.247 . . . . 1.0 110.376 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.612 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.9 t -62.21 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 118.745 0.702 . . . . 1.0 109.371 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.73 -41.25 99.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.05 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.849 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.65 -39.46 94.4 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.986 -0.286 . . . . 1.0 110.453 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.44 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.102 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.0 mm -62.85 -43.78 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.629 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -62.78 -45.06 94.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.01 -0.676 . . . . 1.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 456' ' ' VAL . 96.2 mt -64.52 -40.81 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.0 110.513 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 30.0 m -63.82 -47.95 78.76 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 119.731 -0.787 . . . . 1.0 110.56 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -42.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.648 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.44 -43.49 83.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.239 0.542 . . . . 1.0 111.694 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 452' ' ' LEU . 67.4 t -63.24 -45.36 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.126 -0.943 . . . . 1.0 111.85 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.968 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.34 -43.66 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.959 -0.697 . . . . 1.0 109.908 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.19 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.212 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.95 -43.48 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.209 -0.596 . . . . 1.0 109.738 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.2 -42.25 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.609 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 465' ' ' ILE . 89.2 t80 -59.81 -46.53 88.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.5 m -76.12 -22.03 55.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.15 91.59 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.7 tt -88.49 -2.1 8.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.62 -4.66 16.04 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.791 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 76.36 21.58 75.08 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.566 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.454 ' O ' ' O ' ' A' ' 467' ' ' GLY . 86.6 t80 34.95 97.43 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.006 0.431 . . . . 1.0 111.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 80.8 mtp85 -72.1 149.84 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.717 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.57 130.72 47.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.472 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.73 -43.2 99.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 41.25 79.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.375 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.581 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -42.01 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 1.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 435' ' ' ASP . 40.5 ptt180 -140.3 148.81 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.54 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.406 ' O ' ' OG1' ' A' ' 436' ' ' THR . 78.1 p -65.78 -18.96 65.7 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.842 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -59.44 -35.69 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 1.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 436' ' ' THR . 54.6 p-10 -63.64 -33.9 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.487 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.562 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 70.3 p -66.21 -19.88 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.277 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.09 -41.32 97.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.47 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 16.1 m -63.97 -39.92 95.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.882 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.02 -43.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.229 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 86.0 mt -61.84 -42.21 98.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.255 0.55 . . . . 1.0 110.961 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.37 78.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.553 -0.749 . . . . 1.0 112.207 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.7 mtt -63.09 -41.82 99.47 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.484 0.92 . . . . 1.0 113.484 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.585 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 63.0 p-90 -67.57 -31.6 71.78 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.686 -1.206 . . . . 1.0 110.614 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.585 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 53.4 t -62.09 -45.13 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.676 . . . . 1.0 109.262 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.91 -43.05 99.64 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.07 -0.652 . . . . 1.0 109.286 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.12 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 1.0 111.354 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.13 -38.66 91.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 121.047 -0.261 . . . . 1.0 111.249 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.02 -43.73 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.325 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.59 -43.25 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 1.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.56 -43.91 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.821 -0.351 . . . . 1.0 111.449 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -63.03 -44.46 95.84 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.509 -0.877 . . . . 1.0 110.675 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.5 mt -63.89 -41.5 97.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 1.0 110.696 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -63.19 -47.8 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.108 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.67 -43.09 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.115 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.68 85.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.308 0.575 . . . . 1.0 111.537 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 452' ' ' LEU . 68.2 t -63.16 -45.72 97.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.102 -0.953 . . . . 1.0 111.684 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.61 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.934 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.13 -43.6 97.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.8 -0.76 . . . . 1.0 109.898 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.08 78.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.112 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 1.0 109.678 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -42.27 97.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.244 -0.889 . . . . 1.0 109.785 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.75 -46.47 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 1.0 109.897 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.65 -22.92 56.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.75 91.92 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.7 tt -88.51 -2.35 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 111.745 0.276 . . . . 1.0 111.745 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -109.83 -2.88 17.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.61 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 76.23 22.53 73.34 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' A' ' 467' ' ' GLY . 92.4 t80 38.37 96.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.931 0.396 . . . . 1.0 111.02 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -128.3 148.37 50.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -108.06 131.59 54.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.371 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -74.18 143.6 45.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.58 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -76.65 144.57 39.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.593 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.658 ' N ' ' HG ' ' A' ' 433' ' ' SER . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.05 -41.91 99.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 1.0 110.631 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.73 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.999 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.658 ' HG ' ' N ' ' A' ' 430' ' ' GLY . 11.1 p -76.43 165.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.203 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -71.19 137.91 49.11 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 1.0 110.214 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.38 139.72 57.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.956 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.6 p -68.97 -17.54 63.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.172 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.81 -38.37 90.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -67.65 -35.69 79.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.96 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.56 -43.57 96.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.516 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.18 -43.45 98.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.442 0.639 . . . . 1.0 110.59 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.81 84.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.941 -1.027 . . . . 1.0 111.878 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.77 -42.95 97.68 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.543 0.942 . . . . 1.0 113.543 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.485 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 55.3 p-90 -69.07 -31.83 70.87 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 118.152 -1.419 . . . . 1.0 110.017 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.485 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 60.1 t -61.77 -45.64 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 118.693 0.679 . . . . 1.0 109.621 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.8 -42.2 99.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.72 93.08 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.164 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -38.67 91.93 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.08 -0.248 . . . . 1.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 4.0 mm -61.72 -43.94 97.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.551 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.82 -41.99 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.07 -44.78 99.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.701 -0.4 . . . . 1.0 111.097 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -63.91 -43.85 94.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.704 -0.798 . . . . 1.0 110.613 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.01 -41.76 97.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -63.37 -47.56 81.55 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.65 0.738 . . . . 1.0 110.475 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.1 -42.81 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.074 -0.966 . . . . 1.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.06 82.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.801 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.161 -0.927 . . . . 1.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.503 HD13 HD23 ' A' ' 460' ' ' LEU . 3.0 mm? -62.69 -42.54 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.326 -0.549 . . . . 1.0 110.941 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.07 -43.7 97.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.852 -0.739 . . . . 1.0 109.91 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.13 79.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.034 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.93 -43.42 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.584 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.28 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.189 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' PHE . . . . . 0.667 ' O ' HG22 ' A' ' 465' ' ' ILE . 86.4 t80 -59.58 -45.69 91.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.263 -0.881 . . . . 1.0 110.304 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 86.1 m -78.08 -21.77 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.75 94.77 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.449 -1.06 . . . . 1.0 110.449 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.7 tt -72.25 -1.78 2.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.551 0.215 . . . . 1.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -107.21 -0.32 22.75 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.544 -0.462 . . . . 1.0 109.762 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 86.28 8.23 78.48 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.905 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.76 137.91 51.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.752 0.31 . . . . 1.0 110.6 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.682 HH21 ' NH2' ' A' ' 472' ' ' ARG . 90.2 mtm180 -129.44 146.93 51.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.64 131.91 54.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.487 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 41.14 82.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.621 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.682 ' NH2' HH21 ' A' ' 469' ' ' ARG . 99.8 mtt180 -64.22 -39.62 94.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.537 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 1.0 110.561 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.9 145.22 50.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 1.0 110.472 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -129.35 147.86 51.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 31.9 p -153.49 162.84 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.68 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.97 143.8 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.549 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.75 142.11 57.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.1 p -68.21 -17.94 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.567 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.08 -39.56 94.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -68.08 -35.8 78.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.103 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.46 -43.47 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.799 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.62 -43.01 99.66 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.497 0.665 . . . . 1.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.87 76.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.225 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.073 0.768 . . . . 1.0 113.073 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.799 ' HE1' HD12 ' A' ' 440' ' ' LEU . 59.8 p-90 -66.6 -30.11 70.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 118.333 -1.347 . . . . 1.0 110.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.617 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 55.2 t -62.66 -46.32 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 118.722 0.692 . . . . 1.0 109.836 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.86 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.618 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 447' ' ' LEU . 94.7 mt -63.7 -37.72 88.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.176 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.92 -41.54 91.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.565 1.174 . . . . 1.0 108.687 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.06 -43.41 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 114.922 -1.035 . . . . 1.0 110.119 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.24 -45.12 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.088 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.52 -43.19 97.9 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.007 -1.077 . . . . 1.0 110.954 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.6 mt -64.52 -41.39 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.329 0.585 . . . . 1.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.7 m -63.16 -48.26 79.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.04 -0.982 . . . . 1.0 110.189 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -42.79 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.0 80.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.66 0.743 . . . . 1.0 111.649 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.6 t -62.66 -45.99 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.706 -1.133 . . . . 1.0 111.706 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.72 -43.08 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.577 -0.449 . . . . 1.0 111.131 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.32 -43.57 97.4 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.01 -0.676 . . . . 1.0 109.874 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.261 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.35 -43.08 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.232 -0.587 . . . . 1.0 109.789 -179.499 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.64 -42.82 98.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.393 -0.821 . . . . 1.0 109.885 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.52 -46.07 91.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.64 -27.2 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.186 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.01 -40.52 97.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.712 -0.756 . . . . 1.0 111.424 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.27 -1.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.632 0.253 . . . . 1.0 111.003 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -103.43 -11.64 17.7 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.627 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.15 68.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 46.91 -100.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.317 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -127.74 146.32 50.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.471 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.67 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -129.26 145.21 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.639 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.51 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.586 -1.406 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.09 -41.96 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -74.99 145.22 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.393 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.7 p -155.03 162.51 41.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.801 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -110.41 147.03 34.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -87.57 111.49 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.985 0.421 . . . . 1.0 110.287 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 p -68.07 -18.27 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.376 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.57 -41.27 98.4 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.25 -0.58 . . . . 1.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 48.3 m -63.58 -41.04 98.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.132 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.21 -43.31 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.816 HD12 ' HE1' ' A' ' 443' ' ' TRP . 14.8 tp -61.05 -43.54 98.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 1.0 109.844 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.69 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.139 -0.937 . . . . 1.0 112.241 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.56 -41.69 98.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.816 ' HE1' HD12 ' A' ' 440' ' ' LEU . 60.7 p-90 -66.89 -30.82 71.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.177 -1.409 . . . . 1.0 109.711 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.446 HG22 ' CH2' ' A' ' 443' ' ' TRP . 61.8 t -61.21 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.64 0.654 . . . . 1.0 109.756 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.37 -42.33 99.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.601 -0.44 . . . . 1.0 109.816 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.85 88.58 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.856 -0.338 . . . . 1.0 111.288 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.42 -38.5 91.25 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.548 -0.461 . . . . 1.0 111.206 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -42.87 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.321 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.23 -42.48 96.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.899 -1.046 . . . . 1.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.74 -43.72 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 120.869 0.366 . . . . 1.0 111.593 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.58 -47.0 85.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 119.38 -0.928 . . . . 1.0 111.149 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 456' ' ' VAL . 10.0 mp -64.16 -40.4 96.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.17 0.51 . . . . 1.0 111.813 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.1 m -62.59 -48.35 79.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.454 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.91 -39.28 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.121 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.37 -43.76 92.81 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.338 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.3 t -63.23 -45.6 97.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.704 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.78 -42.6 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.938 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.78 -43.41 96.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.734 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.01 78.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.268 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.1 -43.32 99.06 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.801 -179.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.99 -42.76 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.732 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.58 -45.48 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.5 m -75.92 -25.99 56.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.214 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.25 -39.26 94.35 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -87.52 -0.48 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.23 0.538 . . . . 1.0 110.155 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -97.03 -7.27 33.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.704 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.05 18.07 63.81 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -60.67 -47.45 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.86 -42.95 97.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.324 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.98 143.1 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -128.03 146.0 50.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.433 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 40.06 81.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.689 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.46 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.06 -41.83 99.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 1.0 110.646 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.44 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.8 m -72.44 148.63 44.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.599 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -108.09 143.79 36.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.446 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -91.77 112.11 23.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.1 m -65.79 -19.9 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.827 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.63 -39.5 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.401 . . . . 1.0 110.094 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 74.3 p -67.72 -35.17 78.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.101 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.97 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.479 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.6 mt -61.87 -41.99 98.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 1.0 110.776 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.45 75.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.871 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.85 -42.08 99.61 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.36 0.874 . . . . 1.0 113.36 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.597 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 60.5 p-90 -67.16 -30.66 70.69 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 118.747 -1.181 . . . . 1.0 110.419 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.597 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 61.4 t -62.35 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 118.728 0.695 . . . . 1.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.31 -41.48 98.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.516 -0.549 . . . . 1.0 109.516 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.62 90.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.422 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.111 -0.235 . . . . 1.0 111.187 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.18 -44.45 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.891 -0.724 . . . . 1.0 111.666 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 25.8 m -66.47 -38.3 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.416 0.524 . . . . 1.0 112.416 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 6.5 tt -64.74 -41.36 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.575 -0.85 . . . . 1.0 111.438 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.83 -43.36 96.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.952 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 456' ' ' VAL . 93.9 mt -64.13 -41.23 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.349 0.595 . . . . 1.0 111.185 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.9 m -64.42 -47.08 80.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.354 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -41.86 90.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.115 -0.948 . . . . 1.0 110.394 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.04 88.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 452' ' ' LEU . 78.6 t -63.31 -45.37 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 114.998 -1.001 . . . . 1.0 111.623 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 457' ' ' LEU . 88.4 mt -62.65 -42.84 99.83 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.891 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.6 -43.78 95.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.072 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.19 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.78 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.311 0.577 . . . . 1.0 109.733 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -64.37 -42.42 96.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.525 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.03 -45.79 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.114 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -75.82 -23.75 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.09 93.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.415 ' O ' HD13 ' A' ' 465' ' ' ILE . 0.4 OUTLIER -70.81 -2.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.778 -0.211 . . . . 1.0 110.672 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -108.09 -0.09 21.35 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 81.98 15.54 74.68 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -70.52 131.58 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 1.0 110.584 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.62 147.48 52.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.56 141.0 44.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.458 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -125.34 131.83 52.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -88.06 140.2 29.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.95 -1.024 . . . . 1.0 110.339 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.408 -1.477 . . . . 1.0 109.408 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 434' ' ' TRP . 88.7 tttt -62.5 -44.38 96.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 1.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.845 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 39.3 t -61.54 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.511 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' TRP . . . . . 0.455 ' O ' ' O ' ' A' ' 431' ' ' LYS . 99.1 m95 -108.15 141.75 39.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.886 0.374 . . . . 1.0 111.075 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -95.34 111.61 23.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.8 p -69.46 -18.21 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.452 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.44 -35.08 76.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.832 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.2 p -66.68 -33.89 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.39 -43.84 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.789 HD13 ' HE1' ' A' ' 443' ' ' TRP . 3.2 mm? -61.79 -41.73 98.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.161 0.505 . . . . 1.0 110.896 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.0 76.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.058 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.8 mtt -63.27 -41.46 99.01 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.177 0.806 . . . . 1.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.789 ' HE1' HD13 ' A' ' 440' ' ' LEU . 61.6 p-90 -67.55 -31.01 70.79 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 118.314 -1.355 . . . . 1.0 110.163 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.599 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 56.4 t -61.3 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.641 0.655 . . . . 1.0 109.362 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.38 -41.73 98.86 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.368 -0.533 . . . . 1.0 109.66 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.13 95.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.07 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.44 -38.84 92.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.087 -0.245 . . . . 1.0 110.849 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.05 -43.81 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 119.884 -0.727 . . . . 1.0 110.636 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.22 -42.41 96.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.47 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 120.027 -0.669 . . . . 1.0 111.879 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -61.58 -44.75 96.44 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.05 -41.07 97.5 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.702 0.287 . . . . 1.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.6 m -63.2 -47.02 84.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.073 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.08 -38.26 81.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.538 0.685 . . . . 1.0 111.077 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.41 -44.06 92.92 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.84 -1.073 . . . . 1.0 110.561 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.9 -44.53 98.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.052 -0.976 . . . . 1.0 111.561 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.33 -43.11 99.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.259 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.14 -43.66 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.813 -0.755 . . . . 1.0 109.678 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.137 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -42.83 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.362 0.601 . . . . 1.0 109.778 -179.59 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -61.96 -42.78 99.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.043 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.09 -46.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.874 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -70.83 -27.66 64.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.103 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.49 -40.96 94.47 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.521 -0.631 . . . . 1.0 111.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.03 -0.94 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 1.0 111.01 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -103.59 -7.21 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 1.0 110.408 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 80.89 20.95 64.32 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 48.8 -103.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.438 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -123.4 129.72 51.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.7 mt -112.29 130.95 55.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.447 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -64.85 -36.88 85.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.452 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -70.89 144.65 50.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.303 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.354 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.541 -1.424 . . . . 1.0 109.541 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.25 -41.89 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 1.0 110.554 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.48 143.54 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.675 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 77.8 p -62.81 -35.81 81.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.69 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.98 144.25 37.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -90.77 110.3 21.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.966 0.412 . . . . 1.0 110.621 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 70.3 p -67.79 -18.21 64.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.29 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 37.6 t -64.82 -39.97 94.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.866 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.63 -43.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.28 -42.96 99.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.475 0.655 . . . . 1.0 109.916 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.73 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.169 -0.923 . . . . 1.0 112.023 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.69 -42.85 97.94 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.634 0.976 . . . . 1.0 113.634 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.1 p-90 -68.51 -30.98 69.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.009 -1.477 . . . . 1.0 109.711 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.448 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 57.8 t -61.45 -45.61 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 118.783 0.719 . . . . 1.0 109.486 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.65 -42.08 99.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.57 -0.452 . . . . 1.0 109.867 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.62 92.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.791 0.329 . . . . 1.0 110.977 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.8 -40.04 95.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.504 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.43 -44.17 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 120.375 -0.53 . . . . 1.0 111.99 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 20.8 m -65.02 -35.45 75.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.748 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 27.4 mm -62.93 -43.94 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -62.25 -47.28 85.06 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 452' ' ' LEU . 10.5 mp -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.377 -0.529 . . . . 1.0 111.965 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.7 m -61.8 -48.32 81.14 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.975 -0.69 . . . . 1.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.72 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.092 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.78 90.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.259 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.69 -47.02 94.87 Favored 'Isoleucine or valine' 0 C--O 1.23 0.039 0 CA-C-N 115.824 -0.626 . . . . 1.0 112.607 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 457' ' ' LEU . 10.9 mp -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.345 -0.542 . . . . 1.0 111.608 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.23 -43.7 97.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.633 -0.827 . . . . 1.0 110.022 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.36 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.14 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.049 -0.66 . . . . 1.0 109.865 -179.514 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -44.06 97.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.637 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.63 -45.47 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.384 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.85 -25.0 58.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.15 97.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.8 tt -81.79 -0.67 4.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 1.0 109.935 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -95.77 -9.36 31.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.904 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 85.64 20.77 55.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 469' ' ' ARG . 88.5 t80 -69.4 130.65 43.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.176 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 468' ' ' TYR . 96.1 mtt180 27.86 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 111.999 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 470' ' ' LEU . 3.8 mm? -77.26 141.39 40.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.09 -39.58 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -96.13 137.07 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.507 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.418 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -126.92 145.14 50.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 1.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -75.52 143.83 42.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.402 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.703 ' OG ' HG23 ' A' ' 436' ' ' THR . 85.8 p -75.41 159.14 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.606 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -61.4 -40.06 92.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -62.58 -39.14 92.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.037 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.703 HG23 ' OG ' ' A' ' 433' ' ' SER . 65.8 p -66.19 -21.82 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.316 -0.24 . . . . 1.0 111.622 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.979 -0.689 . . . . 1.0 109.677 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.5 m -64.21 -41.04 97.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.34 -0.846 . . . . 1.0 109.973 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.18 -43.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.801 HD12 ' HE1' ' A' ' 443' ' ' TRP . 13.3 tp -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.532 0.682 . . . . 1.0 110.026 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.93 80.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.387 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.4 mtt -63.11 -41.48 99.36 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.223 0.823 . . . . 1.0 113.223 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.801 ' HE1' HD12 ' A' ' 440' ' ' LEU . 58.6 p-90 -66.67 -29.82 69.93 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 118.349 -1.34 . . . . 1.0 110.234 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.591 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 54.6 t -62.35 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 118.881 0.764 . . . . 1.0 109.773 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.48 -41.19 98.61 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.191 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.84 98.94 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 120.211 -0.596 . . . . 1.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.98 -36.02 82.59 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 122.232 -0.293 . . . . 1.0 110.559 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -63.45 -42.44 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-O 121.502 0.667 . . . . 1.0 110.146 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.81 -42.34 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-N 114.417 -1.265 . . . . 1.0 109.362 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.41 -45.37 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 120.198 -0.601 . . . . 1.0 111.927 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.153 -0.619 . . . . 1.0 110.939 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.4 mt -63.37 -41.75 98.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.903 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.28 -48.14 79.4 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.851 -0.739 . . . . 1.0 110.165 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.36 -42.77 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.039 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 1.0 111.78 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 452' ' ' LEU . 65.5 t -62.98 -45.58 98.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 114.97 -1.014 . . . . 1.0 111.798 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -42.75 99.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.929 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.16 -43.61 97.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.793 -0.763 . . . . 1.0 109.825 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.17 79.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.209 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.71 -42.67 99.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.524 0.678 . . . . 1.0 109.947 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -62.47 -42.8 99.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.48 -47.01 88.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.173 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.48 -26.05 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.73 68.22 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.522 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.45 -3.07 9.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.497 0.555 . . . . 1.0 112.497 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -109.46 2.83 20.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.723 0.297 . . . . 1.0 110.761 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 75.85 22.89 73.63 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.305 -0.718 . . . . 1.0 111.305 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 467' ' ' GLY . 93.3 m-85 58.17 138.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.039 0.447 . . . . 1.0 110.823 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.34 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.541 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.48 128.97 55.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.623 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -69.87 134.85 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.35 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.85 145.57 51.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.508 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.087 -0.959 . . . . 1.0 110.522 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.487 -1.445 . . . . 1.0 109.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.11 145.53 50.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -128.56 146.62 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 68.5 m -130.24 152.91 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.596 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -110.52 145.45 37.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.24 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -89.79 111.94 23.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.701 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.0 p -68.23 -17.92 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.298 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.5 -39.94 95.77 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 24.0 m -63.4 -40.32 96.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.996 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.37 -43.49 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.797 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.8 tp -61.09 -43.15 99.32 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.521 0.677 . . . . 1.0 109.857 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.48 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.981 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.9 mmm -63.04 -41.8 99.6 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.338 0.866 . . . . 1.0 113.338 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.797 ' HE1' HD12 ' A' ' 440' ' ' LEU . 58.9 p-90 -67.23 -30.13 69.96 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.598 -1.241 . . . . 1.0 110.143 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.62 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 63.0 t -62.32 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 118.627 0.648 . . . . 1.0 109.444 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.66 -41.29 98.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.39 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.3 -38.09 89.82 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.568 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.64 -43.85 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.102 0.477 . . . . 1.0 110.421 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.89 -39.89 87.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.072 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.59 -43.84 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.951 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -61.15 -44.59 97.08 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.933 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 456' ' ' VAL . 86.8 mt -65.64 -40.83 92.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 21.3 m -65.02 -49.04 71.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.666 -0.697 . . . . 1.0 112.009 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.6 tt -69.35 -37.93 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.772 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.15 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.384 0.611 . . . . 1.0 111.042 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 452' ' ' LEU . 68.6 t -63.17 -45.38 98.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 114.898 -1.046 . . . . 1.0 111.461 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.52 -42.97 99.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.609 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -43.69 95.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.456 -0.897 . . . . 1.0 109.947 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.92 -38.9 76.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 1.045 HD13 ' N ' ' A' ' 461' ' ' ARG . 0.0 OUTLIER -62.44 -39.47 93.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.948 0.795 . . . . 1.0 109.208 -178.49 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ARG . . . . . 1.045 ' N ' HD13 ' A' ' 460' ' ' LEU . 7.5 tmm_? -63.59 -42.25 98.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.619 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.06 -45.48 92.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.779 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 76.7 m -74.16 -25.41 59.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.96 0.41 . . . . 1.0 110.065 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.03 94.6 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -88.62 -0.76 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 1.0 110.698 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -101.51 -7.15 23.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.398 . . . . 1.0 110.086 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 83.55 19.04 62.75 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 467' ' ' GLY . 97.0 m-85 56.3 154.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.046 0.451 . . . . 1.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.18 -39.16 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.399 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.9 141.86 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.483 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.45 -39.64 94.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.555 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -75.4 144.22 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.635 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.019 -0.991 . . . . 1.0 110.509 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.27 -41.07 98.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.91 0.386 . . . . 1.0 110.659 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.35 -39.78 94.57 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.51 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.6 p -74.26 157.65 35.46 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 121.096 0.474 . . . . 1.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -92.86 -8.57 43.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.803 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -65.59 -39.51 91.65 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.057 -0.657 . . . . 1.0 110.073 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.9 p -65.0 -25.43 67.86 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-O 122.399 1.095 . . . . 1.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.26 -38.2 79.51 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 119.057 -1.057 . . . . 1.0 109.503 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 72.6 p -66.3 -37.58 85.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.601 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.091 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.885 HD12 ' HE1' ' A' ' 443' ' ' TRP . 57.6 tp -60.94 -44.26 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 1.0 110.468 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.27 96.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.185 -0.916 . . . . 1.0 112.309 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.4 mtt -64.45 -43.91 92.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.885 ' HE1' HD12 ' A' ' 440' ' ' LEU . 19.4 p-90 -69.82 -32.16 70.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 118.991 -1.084 . . . . 1.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.08 -45.01 99.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 119.39 0.995 . . . . 1.0 109.076 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.3 -41.49 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.181 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.95 99.62 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.507 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.67 -39.25 93.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.423 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.81 -43.26 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.177 -0.609 . . . . 1.0 109.931 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.46 -43.7 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.716 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.79 -44.13 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.545 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -61.31 -45.01 96.25 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.783 -0.767 . . . . 1.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 456' ' ' VAL . 89.3 mt -63.85 -41.21 97.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 1.0 111.123 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.2 m -63.2 -48.38 78.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.366 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 31.6 mm -64.0 -42.76 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.697 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.18 79.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.641 . . . . 1.0 111.24 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.8 t -62.88 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.099 -0.955 . . . . 1.0 111.806 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.75 -42.52 99.72 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.922 -0.711 . . . . 1.0 111.188 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.07 -43.43 98.6 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.664 -0.814 . . . . 1.0 109.737 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.87 -37.45 79.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.231 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.8 -43.4 98.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.181 -0.608 . . . . 1.0 109.667 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -64.49 -42.03 96.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.419 -0.81 . . . . 1.0 109.547 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' PHE . . . . . 0.648 ' O ' HG22 ' A' ' 465' ' ' ILE . 85.8 t80 -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.046 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.4 m -78.64 -21.5 48.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.75 -40.03 93.73 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.262 -1.135 . . . . 1.0 110.262 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.2 tt -71.76 -1.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.566 0.222 . . . . 1.0 110.927 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -106.5 0.2 24.48 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 87.48 10.32 70.83 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 115.82 -0.627 . . . . 1.0 112.244 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.63 135.91 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.7 0.25 . . . . 1.0 110.662 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -126.71 134.45 50.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.4 mt -110.47 132.09 54.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.607 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -127.87 145.92 50.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.56 144.85 41.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.232 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 66.1 tttm . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 118.141 -0.933 . . . . 1.0 110.213 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.598 -1.401 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.35 -42.31 98.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 1.0 110.194 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.71 -37.57 87.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 90.0 p -73.58 163.18 28.36 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.963 0.411 . . . . 1.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -110.84 143.45 41.4 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.72 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.997 0.427 . . . . 1.0 111.171 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 40.2 p -67.99 -19.97 64.98 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.17 -39.55 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.299 0.571 . . . . 1.0 109.838 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 10.1 t -64.1 -41.15 97.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.402 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.37 -42.5 95.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.891 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.768 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.2 tp -60.72 -42.35 97.12 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.52 0.676 . . . . 1.0 109.211 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.27 73.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.593 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.73 -41.62 98.02 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.617 0.969 . . . . 1.0 113.617 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.768 ' HE1' HD12 ' A' ' 440' ' ' LEU . 60.3 p-90 -67.63 -29.93 69.37 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 118.342 -1.343 . . . . 1.0 109.9 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.632 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 71.5 t -62.44 -45.5 98.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 118.947 0.794 . . . . 1.0 109.192 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.19 -41.57 98.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 447' ' ' LEU . 87.9 mt -63.72 -39.59 94.68 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.68 -43.15 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.345 0.593 . . . . 1.0 109.815 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.57 -43.25 98.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 1.0 110.074 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.93 -43.82 99.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 119.552 -0.261 . . . . 1.0 111.638 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -60.54 -45.16 94.91 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 119.917 -0.713 . . . . 1.0 111.082 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 456' ' ' VAL . 90.6 mt -64.2 -40.57 96.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.957 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.6 m -62.83 -47.19 84.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.488 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 455' ' ' ALA . 42.1 pt -68.27 -40.71 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.796 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 454' ' ' ILE . . . -55.65 -44.73 77.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.397 0.618 . . . . 1.0 111.246 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 452' ' ' LEU . 72.9 t -63.41 -44.86 99.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 114.793 -1.094 . . . . 1.0 111.378 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.32 -43.03 99.76 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.402 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.32 -43.26 98.3 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.159 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.27 77.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.878 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.66 -43.23 97.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.152 -0.619 . . . . 1.0 109.967 -178.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -62.83 -42.13 99.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.553 -0.749 . . . . 1.0 109.765 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.166 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.6 m -75.77 -26.0 56.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.194 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.59 95.34 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -89.41 -1.3 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.955 0.407 . . . . 1.0 110.404 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -97.25 -9.1 28.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 86.24 10.68 73.99 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.55 -0.583 . . . . 1.0 112.174 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -113.95 129.34 56.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.835 0.817 . . . . 1.0 112.32 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.215 -0.902 . . . . 1.0 111.146 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.4 mt -37.93 105.82 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.118 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -65.26 -43.28 91.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.235 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -105.26 138.46 41.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.51 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.096 -0.954 . . . . 1.0 110.194 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.547 -1.421 . . . . 1.0 109.547 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.08 -41.98 99.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 1.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -75.23 144.43 42.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.5 m -60.23 -42.77 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -111.23 137.65 48.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.758 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -98.23 110.58 23.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.353 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.9 p -68.15 -20.07 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.926 -0.31 . . . . 1.0 110.234 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.22 -41.3 94.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.476 -0.564 . . . . 1.0 109.476 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.2 t -64.28 -42.21 96.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.937 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.04 -43.51 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.792 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.39 -42.95 99.54 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.454 0.645 . . . . 1.0 109.96 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.53 75.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.01 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.5 mtt -63.26 -41.65 99.07 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.353 0.871 . . . . 1.0 113.353 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.792 ' HE1' HD12 ' A' ' 440' ' ' LEU . 59.4 p-90 -67.1 -30.17 70.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 118.63 -1.228 . . . . 1.0 110.04 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.619 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.2 t -62.57 -45.82 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 118.655 0.661 . . . . 1.0 109.377 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.4 -41.61 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.49 95.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.816 -0.353 . . . . 1.0 110.822 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.9 -38.29 90.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.111 -0.236 . . . . 1.0 110.709 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.53 -43.21 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.296 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.23 -42.38 95.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.535 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 450' ' ' ILE . 36.9 mm -64.22 -44.44 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.492 -0.883 . . . . 1.0 111.048 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -60.9 -44.76 96.69 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.619 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 456' ' ' VAL . 91.9 mt -65.34 -41.94 93.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.059 0.457 . . . . 1.0 111.838 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -48.94 72.7 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.918 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 455' ' ' ALA . 20.4 tt -69.47 -38.67 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.982 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 454' ' ' ILE . . . -58.98 -43.84 91.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.444 0.64 . . . . 1.0 111.174 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.8 t -63.22 -45.55 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 114.827 -1.079 . . . . 1.0 111.607 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.67 -42.66 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.77 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.13 -43.74 97.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.875 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.26 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.215 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.465 0.65 . . . . 1.0 109.698 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.723 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 465' ' ' ILE . 90.1 t80 -59.65 -47.71 84.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.194 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.9 m -71.01 -22.75 62.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.87 88.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.5 tt -88.58 -2.35 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 111.802 0.297 . . . . 1.0 111.802 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -109.73 -2.96 17.06 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.629 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.55 19.14 64.6 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.258 -0.496 . . . . 1.0 112.775 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.21 139.02 49.13 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.889 0.376 . . . . 1.0 110.851 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 59.48 43.66 15.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.421 0.629 . . . . 1.0 109.502 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.14 -41.88 99.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.435 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -102.4 137.44 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.571 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -140.17 153.42 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.507 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.528 ' N ' ' OG1' ' A' ' 436' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.35 -44.21 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 1.0 110.628 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.54 -43.68 98.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.427 ' OG ' HG23 ' A' ' 436' ' ' THR . 34.2 p -156.78 161.54 39.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 1.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -87.28 -14.12 41.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -76.97 -5.04 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.664 -0.414 . . . . 1.0 110.525 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 430' ' ' GLY . 75.2 p -69.17 -18.9 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.186 0.517 . . . . 1.0 109.783 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.55 -41.3 88.87 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.359 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.3 m -69.38 -43.16 74.09 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 m -66.93 -38.68 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 119.958 -0.697 . . . . 1.0 111.324 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.525 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 79.9 mt -62.51 -41.96 99.18 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.097 0.475 . . . . 1.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.04 73.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 1.0 111.96 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.05 -41.78 97.27 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.912 1.079 . . . . 1.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 440' ' ' LEU . 62.7 p-90 -69.0 -36.63 78.04 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.533 1.061 . . . . 1.0 111.802 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.402 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 5.0 p -62.59 -41.65 92.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.568 1.076 . . . . 1.0 110.106 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.35 -41.67 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.78 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.173 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.38 -39.04 93.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.607 -0.27 . . . . 1.0 110.31 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 448' ' ' ILE . 30.3 mm -61.68 -43.5 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.283 0.563 . . . . 1.0 110.18 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.26 -42.73 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.6 -43.03 98.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-O 119.747 -0.168 . . . . 1.0 111.19 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -63.46 -44.85 93.29 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.926 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 456' ' ' VAL . 3.2 mm? -63.94 -40.52 96.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.306 0.574 . . . . 1.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -63.13 -47.6 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.88 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.88 -42.7 95.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.73 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.36 79.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.377 0.608 . . . . 1.0 111.476 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 452' ' ' LEU . 62.1 t -63.06 -46.53 95.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.13 -0.941 . . . . 1.0 111.831 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.53 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.948 -0.701 . . . . 1.0 111.149 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.04 -43.8 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.602 -0.839 . . . . 1.0 110.068 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.89 -36.92 78.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.16 -42.96 99.5 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.188 -0.605 . . . . 1.0 109.707 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.95 -42.76 99.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 1.0 109.723 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.46 -46.06 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.84 -27.16 61.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.47 97.16 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.823 -0.703 . . . . 1.0 111.407 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.24 -1.35 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.71 0.291 . . . . 1.0 111.062 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -104.06 -11.23 17.48 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.602 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.96 20.6 70.03 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 50.33 -104.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.321 . . . . 1.0 110.539 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -84.08 141.31 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.586 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.04 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -67.79 134.38 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.544 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.43 144.88 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.46 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.48 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 1.0 110.572 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -75.11 145.63 42.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.7 m -130.11 152.12 49.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -61.07 -39.2 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -94.97 109.06 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.661 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.1 p -68.65 -18.34 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.479 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.4 -40.7 97.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 19.0 m -63.63 -40.19 96.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.123 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.99 -43.69 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.209 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.4 mt -61.79 -42.26 98.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.317 0.579 . . . . 1.0 110.951 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.78 76.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.395 -0.82 . . . . 1.0 112.037 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.28 -41.7 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.188 0.81 . . . . 1.0 113.188 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.597 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 61.8 p-90 -67.57 -31.45 71.52 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.479 -1.288 . . . . 1.0 110.098 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.597 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 57.8 t -61.45 -45.93 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 118.766 0.712 . . . . 1.0 109.512 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -42.06 98.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.49 89.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 443' ' ' TRP . 10.8 mp -63.91 -40.16 95.84 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.091 -0.244 . . . . 1.0 111.637 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 448' ' ' ILE . 28.8 mm -62.14 -43.98 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 119.189 -1.004 . . . . 1.0 110.454 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.08 -43.76 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.514 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.06 -43.59 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 112.653 0.612 . . . . 1.0 112.653 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.3 -45.63 92.39 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.92 -35.94 81.12 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.565 0.698 . . . . 1.0 112.808 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.7 m -65.44 -45.77 82.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.484 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 46.3 pt -70.47 -28.74 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 120.647 -0.421 . . . . 1.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.21 98.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.63 -0.713 . . . . 1.0 111.509 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.14 -45.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.046 -0.979 . . . . 1.0 111.932 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 457' ' ' LEU . 10.9 mp -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.368 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.26 -43.71 97.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.592 -0.843 . . . . 1.0 109.875 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.12 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.225 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.77 -43.65 97.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.126 -0.63 . . . . 1.0 109.746 -179.472 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.69 95.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.613 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.71 -45.44 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.232 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 84.2 m -77.57 -25.26 49.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.233 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.44 95.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt -79.34 -0.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.301 0.572 . . . . 1.0 109.742 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -97.83 -9.17 26.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.989 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.24 15.56 68.98 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -60.81 -47.28 87.05 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -73.79 134.06 43.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.221 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.95 140.2 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.346 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 60.8 66.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.561 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.57 -43.22 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.484 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.57 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.367 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.57 -44.13 97.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 1.0 110.485 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -75.79 143.01 42.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.707 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 t -68.19 145.29 54.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -59.75 -37.2 78.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.85 -16.97 64.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.629 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.4 m -62.44 -41.84 99.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -52.72 -45.74 67.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 1.0 111.479 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 50.6 m -63.01 -41.18 99.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.428 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.93 -43.53 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.193 0.52 . . . . 1.0 111.147 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.88 75.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.653 -0.703 . . . . 1.0 112.156 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.84 -41.63 99.41 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.345 0.868 . . . . 1.0 113.345 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.595 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.6 p-90 -67.25 -30.54 70.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.438 -1.305 . . . . 1.0 110.332 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.595 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.0 t -61.83 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 118.732 0.697 . . . . 1.0 109.635 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.79 -40.42 97.28 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.32 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.75 94.02 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.168 -0.213 . . . . 1.0 110.637 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -40.15 96.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.565 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.3 -42.44 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.504 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.64 -43.26 98.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.17 -44.23 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.256 -0.578 . . . . 1.0 110.764 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.78 -44.35 96.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.69 -0.804 . . . . 1.0 111.325 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -41.4 96.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.192 0.52 . . . . 1.0 110.95 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.81 -47.48 80.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.58 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.77 -40.3 87.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.625 0.726 . . . . 1.0 110.374 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.49 89.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.07 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.44 -45.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.18 -0.918 . . . . 1.0 112.002 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.66 -43.08 99.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.994 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.57 -43.59 96.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.921 -0.712 . . . . 1.0 109.867 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.74 -37.24 79.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.304 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.974 HD13 HH21 ' A' ' 469' ' ' ARG . 0.1 OUTLIER -60.97 -43.41 98.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.87 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.66 95.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.675 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.77 -45.51 94.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.28 -27.05 52.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.389 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.34 86.18 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.419 HG23 ' HD1' ' A' ' 466' ' ' TYR . 20.6 tt -82.0 -0.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.877 0.37 . . . . 1.0 110.664 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.419 ' HD1' HG23 ' A' ' 465' ' ' ILE . 3.1 m-85 -100.41 -1.68 35.31 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 79.7 21.69 65.8 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.144 -0.782 . . . . 1.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.21 -45.42 94.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.983 0.391 . . . . 1.0 111.411 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.974 HH21 HD13 ' A' ' 460' ' ' LEU . 94.2 mtt-85 -63.74 -38.91 92.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 1.0 112.413 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.1 mt 57.37 -114.29 0.8 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.759 0.314 . . . . 1.0 110.286 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -105.15 136.57 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.592 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.621 ' NH2' ' NH1' ' A' ' 469' ' ' ARG . 63.2 ttm-85 -128.42 133.29 48.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.224 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.447 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.88 134.2 50.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.0 110.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -101.61 138.19 38.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.648 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -34.66 76.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.471 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -108.08 142.87 37.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.67 140.9 57.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.0 p -68.41 -18.11 64.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.305 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.9 t -63.92 -41.9 97.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.187 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.68 -43.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.276 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.7 mt -61.82 -42.29 98.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 1.0 110.819 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.56 75.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.817 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -41.61 99.29 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.612 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 62.1 p-90 -67.67 -31.41 71.36 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 118.515 -1.274 . . . . 1.0 110.243 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.612 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 65.6 t -61.22 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 118.921 0.782 . . . . 1.0 109.331 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.08 -41.15 97.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 443' ' ' TRP . 10.6 mp -63.66 -39.54 94.59 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 1.0 111.424 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -62.24 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.464 0.65 . . . . 1.0 110.255 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.29 -43.6 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.441 -0.8 . . . . 1.0 110.3 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.12 -43.89 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 121.117 -0.233 . . . . 1.0 111.545 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -59.17 -45.73 90.26 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 119.776 -0.77 . . . . 1.0 111.699 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 456' ' ' VAL . 4.0 mm? -67.23 -36.3 81.37 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.489 0.661 . . . . 1.0 111.27 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 46.1 m -67.81 -49.98 59.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 118.813 -1.155 . . . . 1.0 111.592 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.3 tt -69.22 -38.8 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.51 81.17 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.493 0.663 . . . . 1.0 110.9 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.0 t -63.72 -44.63 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.613 -0.435 . . . . 1.0 111.415 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.18 -42.78 99.44 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.119 -1.033 . . . . 1.0 109.802 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.97 80.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.987 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.44 -42.68 99.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.618 . . . . 1.0 109.806 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.94 -42.62 99.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.234 -0.893 . . . . 1.0 109.935 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.03 -46.17 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.98 -27.3 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.932 0.396 . . . . 1.0 109.976 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.5 91.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.71 -1.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 1.0 110.701 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.95 -5.6 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.789 -0.449 . . . . 1.0 109.789 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 95.25 -1.71 64.91 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.534 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 81.2 t80 57.97 152.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.299 . . . . 1.0 110.688 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.534 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -74.75 144.51 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.738 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.27 131.11 55.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.36 -39.63 94.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.481 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -101.6 136.77 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.544 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.73 144.42 50.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.41 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.2 t -139.09 145.0 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.896 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -111.03 144.46 40.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -92.16 -0.26 57.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 1.0 110.428 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.6 m -65.67 -20.46 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.36 -42.22 96.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.8 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -64.36 -42.15 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.921 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.95 -43.69 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.989 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 tt -61.36 -43.5 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 1.0 111.173 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.18 82.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.406 -0.815 . . . . 1.0 112.26 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.84 -41.98 97.7 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.406 0.891 . . . . 1.0 113.406 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.553 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.3 p-90 -68.44 -31.26 70.44 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 118.283 -1.367 . . . . 1.0 110.21 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.553 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 64.7 t -61.61 -45.49 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 118.692 0.678 . . . . 1.0 109.406 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -41.82 98.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.671 -0.492 . . . . 1.0 109.671 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.41 93.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.015 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.72 -38.67 91.98 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.599 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.88 -44.48 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.574 0.702 . . . . 1.0 110.007 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.79 -39.34 85.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.944 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.61 -44.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.929 -0.308 . . . . 1.0 111.079 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -62.01 -44.79 95.98 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.723 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 456' ' ' VAL . 89.9 mt -65.03 -41.69 95.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.309 0.576 . . . . 1.0 111.745 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 20.2 m -64.52 -50.19 68.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.29 -0.868 . . . . 1.0 111.713 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 455' ' ' ALA . 20.6 tt -69.37 -39.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.986 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 454' ' ' ILE . . . -57.67 -40.7 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.529 0.68 . . . . 1.0 110.52 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 452' ' ' LEU . 69.2 t -63.07 -45.02 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.718 -1.128 . . . . 1.0 111.264 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.323 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.34 -42.87 98.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.146 -1.022 . . . . 1.0 110.101 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.43 80.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.162 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.48 -42.77 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 1.0 109.793 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.27 -42.71 99.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.978 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' PHE . . . . . 0.4 ' CZ ' ' CE1' ' A' ' 466' ' ' TYR . 88.2 t80 -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.1 -26.98 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.895 0.379 . . . . 1.0 110.049 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.21 -40.69 92.39 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -89.0 -1.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.672 0.272 . . . . 1.0 110.951 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.4 ' CE1' ' CZ ' ' A' ' 462' ' ' PHE . 1.0 OUTLIER -102.96 -3.08 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 1.0 110.215 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 81.01 18.92 68.49 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 86.6 t80 57.64 156.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.721 0.296 . . . . 1.0 110.442 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.513 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 90.2 mtm180 -72.68 144.03 47.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.801 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.23 132.71 53.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.452 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.36 -39.33 93.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.44 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.56 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.528 -1.429 . . . . 1.0 109.528 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.89 145.03 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 1.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.93 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.4 m -72.13 148.52 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.567 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -98.11 144.14 27.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.108 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.64 140.89 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.384 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 72.3 p -67.8 -19.12 65.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.7 -42.02 95.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.1 t -64.38 -42.3 96.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.954 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.08 -43.09 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.767 HD12 ' HE1' ' A' ' 443' ' ' TRP . 13.4 tp -60.8 -42.26 97.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.491 0.662 . . . . 1.0 109.671 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 444' ' ' VAL . . . -61.25 -35.69 77.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.545 -0.752 . . . . 1.0 112.759 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -64.28 -42.0 96.64 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.115 1.154 . . . . 1.0 114.115 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.767 ' HE1' HD12 ' A' ' 440' ' ' LEU . 62.5 p-90 -67.62 -37.73 82.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 118.951 -1.1 . . . . 1.0 111.325 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 441' ' ' ALA . 5.3 p -61.77 -41.41 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 119.496 1.044 . . . . 1.0 110.265 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.09 -41.79 98.55 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.49 95.28 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 -38.78 92.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 448' ' ' ILE . 30.4 mm -62.56 -43.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.423 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.05 -42.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.303 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.01 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.941 -0.474 . . . . 1.0 111.958 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.07 -46.36 89.44 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.961 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 456' ' ' VAL . 10.4 mp -66.17 -39.32 89.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.109 0.481 . . . . 1.0 112.164 178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -64.75 -49.33 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.61 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.12 -38.33 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.881 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.69 76.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.355 0.598 . . . . 1.0 110.895 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 452' ' ' LEU . 64.9 t -62.7 -45.56 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.122 -0.944 . . . . 1.0 111.527 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.615 HD13 HD23 ' A' ' 460' ' ' LEU . 3.5 mm? -62.27 -42.98 99.81 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.511 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.13 -43.01 99.55 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.284 -0.967 . . . . 1.0 110.082 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.07 79.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.963 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.5 -43.45 97.02 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.304 -0.558 . . . . 1.0 109.792 -179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -63.58 -42.42 98.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.52 -0.763 . . . . 1.0 109.734 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.3 -45.35 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.092 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.1 m -76.52 -24.54 53.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.34 95.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt -79.67 -0.67 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.373 0.606 . . . . 1.0 109.846 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -97.13 -7.63 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.827 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.63 62.83 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.473 ' CE2' ' O ' ' A' ' 469' ' ' ARG . 89.9 t80 -69.65 132.92 46.94 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.44 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.473 ' O ' ' CE2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -76.51 145.02 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 470' ' ' LEU . 4.0 mm? -101.67 129.99 47.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.414 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -84.06 142.48 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.583 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -125.06 132.61 53.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.297 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.56 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 N-CA-C 109.685 -1.366 . . . . 1.0 109.685 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.23 -42.86 96.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.487 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.14 -41.63 97.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.559 -0.456 . . . . 1.0 109.803 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.9 t -70.04 144.48 52.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.992 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 434' ' ' TRP . . . . . 0.481 ' HB3' HG23 ' A' ' 436' ' ' THR . 98.2 m95 -59.29 -39.25 82.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.131 179.621 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 56.81 36.62 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.191 179.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 434' ' ' TRP . 39.5 p -64.88 -18.11 64.89 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.86 -39.85 95.68 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.478 -0.489 . . . . 1.0 109.791 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 73.6 p -65.58 -35.02 79.62 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.12 -43.17 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.178 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.795 HD12 ' HE1' ' A' ' 443' ' ' TRP . 55.6 tp -60.76 -43.86 97.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.485 0.66 . . . . 1.0 110.121 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.19 97.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.606 -1.179 . . . . 1.0 112.385 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.2 -43.73 85.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.511 0.93 . . . . 1.0 113.511 -177.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.795 ' HE1' HD12 ' A' ' 440' ' ' LEU . 13.6 p-90 -72.31 -35.62 68.69 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 118.958 -1.097 . . . . 1.0 111.956 -178.208 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.75 -40.43 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.937 1.244 . . . . 1.0 109.404 178.605 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -41.28 98.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.237 178.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.54 97.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.288 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.47 -41.12 98.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.06 178.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.8 -43.97 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.003 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 449' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 453' ' ' THR . 76.1 t -63.12 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 1.0 112.695 -178.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 38.9 pt -64.62 -42.12 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.332 -177.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -60.27 -44.69 95.11 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.01 -40.61 98.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 1.0 110.883 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 449' ' ' VAL . 54.5 p -64.16 -44.81 90.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.03 -42.93 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.267 -0.879 . . . . 1.0 111.248 179.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.89 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 1.0 111.574 -178.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.66 -46.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 1.0 111.797 -178.542 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.505 HD13 HD23 ' A' ' 460' ' ' LEU . 3.0 mm? -62.94 -42.52 99.84 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.846 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -44.19 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.432 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.21 78.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.198 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -42.78 99.16 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.503 0.668 . . . . 1.0 109.897 -179.493 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.49 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.015 -0.993 . . . . 1.0 108.95 178.728 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 462' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 91.5 t80 -59.82 -46.18 90.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.256 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 463' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 468' ' ' TYR . 73.1 m -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 1.0 110.543 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -66.09 -38.62 94.15 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.871 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -87.97 -0.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 1.0 110.402 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 462' ' ' PHE . 3.8 m-85 -99.51 -0.34 40.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.348 -0.982 . . . . 1.0 108.348 176.264 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 92.48 8.07 62.85 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.987 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 463' ' ' CYS . 97.4 m-85 -116.39 135.89 53.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.636 0.218 . . . . 1.0 110.669 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -129.16 143.84 51.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.225 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.55 -42.76 98.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -128.23 143.61 51.05 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 110.814 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 54.88 78.33 0.18 Allowed 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.996 -179.894 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.466 0.65 . . . . 1.9199999999999999 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 2.9 m -67.36 -43.69 80.84 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 114.338 -1.301 . . . . 1.3100000000000001 111.07 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.28 -41.93 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.754 -1.202 . . . . 0.73999999999999999 107.754 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.476 ' HA ' ' NE1' ' A' ' 443' ' ' TRP . 0.2 OUTLIER -60.43 -46.56 89.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.589 1.185 . . . . 2.0600000000000001 108.747 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.11 80.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.156 -1.838 . . . . 0.20000000000000001 112.464 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 68.1 mtp -65.2 -41.42 94.56 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.999 -0.438 . . . . 1.73 112.103 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.509 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 33.8 p-90 -69.21 -28.66 66.56 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.463 -1.398 . . . . 0.5 110.059 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.509 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 90.5 t -64.09 -46.98 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 121.183 1.81 . . . . 0.82999999999999996 108.448 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 14.0 tp -62.03 -42.41 99.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.407 0.548 . . . . 1.8 110.49 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.65 99.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.734 -0.604 . . . . 0.17000000000000001 110.512 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.09 -36.16 81.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 119.042 -0.504 . . . . 1.4399999999999999 111.014 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.84 -43.44 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.465 1.029 . . . . 1.27 109.205 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.9 t -63.24 -41.96 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.043 -1.435 . . . . 0.82999999999999996 110.531 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.68 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.648 -0.658 . . . . 1.3 111.856 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -60.95 -47.62 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.314 -0.554 . . . . 0.57999999999999996 111.789 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.07 -38.93 89.53 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.478 1.132 . . . . 1.3500000000000001 111.892 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 27.9 m -59.21 -48.61 80.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 112.114 -2.312 . . . . 0.62 109.2 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.88 -41.89 85.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 1.3200000000000001 110.742 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -52.36 -47.92 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 122.029 0.918 . . . . 0.20999999999999999 112.081 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.37 -47.55 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-N 113.537 -1.665 . . . . 0.22 111.882 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -43.53 98.6 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 1.3200000000000001 110.706 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -45.59 92.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.794 0.725 . . . . 0.82999999999999996 109.65 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.465 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -70.81 -34.56 71.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 118.626 -0.702 . . . . 0.19 110.692 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.46 -43.74 96.59 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.777 1.626 . . . . 0.63 110.021 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . 0.464 ' CD ' ' C ' ' A' ' 461' ' ' ARG . 0.1 OUTLIER -71.16 -47.61 56.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.057 -1.429 . . . . 2.9199999999999999 112.551 -179.356 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -56.12 -40.98 74.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.99 -1.115 . . . . 0.44 107.99 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 27.8 m -80.85 -24.88 38.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.975 0.417 . . . . 0.33000000000000002 109.976 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.79 -46.12 94.31 Favored Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.274 -0.73 . . . . 0.27000000000000002 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 122.327 1.06 . . . . 0.62 112.65 -179.786 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 20.6 m -63.77 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.058 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.109 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 88.5 mt -61.83 -42.28 98.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.186 0.517 . . . . 1.0 110.9 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.77 76.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.001 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.08 -41.62 99.45 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.32 0.859 . . . . 1.0 113.32 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.612 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 60.0 p-90 -67.75 -30.56 70.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 118.582 -1.247 . . . . 1.0 110.376 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.612 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.9 t -62.21 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 118.745 0.702 . . . . 1.0 109.371 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.73 -41.25 99.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.05 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.849 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.65 -39.46 94.4 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.986 -0.286 . . . . 1.0 110.453 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.44 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.102 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.0 mm -62.85 -43.78 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.629 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -62.78 -45.06 94.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.01 -0.676 . . . . 1.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 456' ' ' VAL . 96.2 mt -64.52 -40.81 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.0 110.513 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 30.0 m -63.82 -47.95 78.76 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 119.731 -0.787 . . . . 1.0 110.56 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -42.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.648 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.44 -43.49 83.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.239 0.542 . . . . 1.0 111.694 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 452' ' ' LEU . 67.4 t -63.24 -45.36 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.126 -0.943 . . . . 1.0 111.85 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.968 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.34 -43.66 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.959 -0.697 . . . . 1.0 109.908 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.19 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.212 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.95 -43.48 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.209 -0.596 . . . . 1.0 109.738 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.2 -42.25 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.609 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 465' ' ' ILE . 89.2 t80 -59.81 -46.53 88.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.5 m -76.12 -22.03 55.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.15 91.59 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.7 tt . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 16.1 m -63.97 -39.92 95.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.882 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.02 -43.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.229 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 86.0 mt -61.84 -42.21 98.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.255 0.55 . . . . 1.0 110.961 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.37 78.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.553 -0.749 . . . . 1.0 112.207 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.7 mtt -63.09 -41.82 99.47 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.484 0.92 . . . . 1.0 113.484 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.585 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 63.0 p-90 -67.57 -31.6 71.78 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.686 -1.206 . . . . 1.0 110.614 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.585 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 53.4 t -62.09 -45.13 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.676 . . . . 1.0 109.262 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.91 -43.05 99.64 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.07 -0.652 . . . . 1.0 109.286 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.12 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 1.0 111.354 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.13 -38.66 91.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 121.047 -0.261 . . . . 1.0 111.249 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.02 -43.73 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.325 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.59 -43.25 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 1.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.56 -43.91 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.821 -0.351 . . . . 1.0 111.449 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -63.03 -44.46 95.84 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.509 -0.877 . . . . 1.0 110.675 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.5 mt -63.89 -41.5 97.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 1.0 110.696 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -63.19 -47.8 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.108 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.67 -43.09 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.115 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.68 85.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.308 0.575 . . . . 1.0 111.537 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 452' ' ' LEU . 68.2 t -63.16 -45.72 97.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.102 -0.953 . . . . 1.0 111.684 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.61 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.934 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.13 -43.6 97.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.8 -0.76 . . . . 1.0 109.898 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.08 78.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.112 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 1.0 109.678 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -42.27 97.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.244 -0.889 . . . . 1.0 109.785 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.75 -46.47 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 1.0 109.897 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.65 -22.92 56.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.75 91.92 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 111.745 0.276 . . . . 1.0 111.745 -179.144 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -67.65 -35.69 79.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.96 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.56 -43.57 96.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.516 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.18 -43.45 98.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.442 0.639 . . . . 1.0 110.59 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.81 84.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.941 -1.027 . . . . 1.0 111.878 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.77 -42.95 97.68 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.543 0.942 . . . . 1.0 113.543 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.485 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 55.3 p-90 -69.07 -31.83 70.87 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 118.152 -1.419 . . . . 1.0 110.017 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.485 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 60.1 t -61.77 -45.64 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 118.693 0.679 . . . . 1.0 109.621 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.8 -42.2 99.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.72 93.08 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.164 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -38.67 91.93 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.08 -0.248 . . . . 1.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 4.0 mm -61.72 -43.94 97.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.551 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.82 -41.99 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.07 -44.78 99.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.701 -0.4 . . . . 1.0 111.097 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -63.91 -43.85 94.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.704 -0.798 . . . . 1.0 110.613 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.01 -41.76 97.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -63.37 -47.56 81.55 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.65 0.738 . . . . 1.0 110.475 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.1 -42.81 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.074 -0.966 . . . . 1.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.06 82.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.801 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.161 -0.927 . . . . 1.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.503 HD13 HD23 ' A' ' 460' ' ' LEU . 3.0 mm? -62.69 -42.54 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.326 -0.549 . . . . 1.0 110.941 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.07 -43.7 97.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.852 -0.739 . . . . 1.0 109.91 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.13 79.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.034 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.93 -43.42 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.584 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.28 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.189 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . 0.667 ' O ' HG22 ' A' ' 465' ' ' ILE . 86.4 t80 -59.58 -45.69 91.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.263 -0.881 . . . . 1.0 110.304 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 86.1 m -78.08 -21.77 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.75 94.77 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.449 -1.06 . . . . 1.0 110.449 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.7 tt . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.551 0.215 . . . . 1.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -68.08 -35.8 78.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.103 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.46 -43.47 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.799 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.62 -43.01 99.66 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.497 0.665 . . . . 1.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.87 76.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.225 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.073 0.768 . . . . 1.0 113.073 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.799 ' HE1' HD12 ' A' ' 440' ' ' LEU . 59.8 p-90 -66.6 -30.11 70.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 118.333 -1.347 . . . . 1.0 110.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.617 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 55.2 t -62.66 -46.32 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 118.722 0.692 . . . . 1.0 109.836 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.86 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.618 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 447' ' ' LEU . 94.7 mt -63.7 -37.72 88.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.176 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.92 -41.54 91.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.565 1.174 . . . . 1.0 108.687 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.06 -43.41 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 114.922 -1.035 . . . . 1.0 110.119 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.24 -45.12 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.088 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.52 -43.19 97.9 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.007 -1.077 . . . . 1.0 110.954 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.6 mt -64.52 -41.39 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.329 0.585 . . . . 1.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.7 m -63.16 -48.26 79.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.04 -0.982 . . . . 1.0 110.189 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -42.79 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.0 80.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.66 0.743 . . . . 1.0 111.649 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.6 t -62.66 -45.99 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.706 -1.133 . . . . 1.0 111.706 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.72 -43.08 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.577 -0.449 . . . . 1.0 111.131 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.32 -43.57 97.4 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.01 -0.676 . . . . 1.0 109.874 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.261 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.35 -43.08 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.232 -0.587 . . . . 1.0 109.789 -179.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.64 -42.82 98.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.393 -0.821 . . . . 1.0 109.885 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.52 -46.07 91.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.64 -27.2 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.186 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.01 -40.52 97.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.712 -0.756 . . . . 1.0 111.424 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.632 0.253 . . . . 1.0 111.003 -179.534 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.003 0.43 . . . . 1.0 109.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 48.3 m -63.58 -41.04 98.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.132 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.21 -43.31 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.816 HD12 ' HE1' ' A' ' 443' ' ' TRP . 14.8 tp -61.05 -43.54 98.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 1.0 109.844 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.69 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.139 -0.937 . . . . 1.0 112.241 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.56 -41.69 98.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.816 ' HE1' HD12 ' A' ' 440' ' ' LEU . 60.7 p-90 -66.89 -30.82 71.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.177 -1.409 . . . . 1.0 109.711 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.446 HG22 ' CH2' ' A' ' 443' ' ' TRP . 61.8 t -61.21 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.64 0.654 . . . . 1.0 109.756 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.37 -42.33 99.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.601 -0.44 . . . . 1.0 109.816 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.85 88.58 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.856 -0.338 . . . . 1.0 111.288 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.42 -38.5 91.25 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.548 -0.461 . . . . 1.0 111.206 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -42.87 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.321 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.23 -42.48 96.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.899 -1.046 . . . . 1.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.74 -43.72 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 120.869 0.366 . . . . 1.0 111.593 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.58 -47.0 85.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 119.38 -0.928 . . . . 1.0 111.149 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 456' ' ' VAL . 10.0 mp -64.16 -40.4 96.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.17 0.51 . . . . 1.0 111.813 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.1 m -62.59 -48.35 79.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.454 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.91 -39.28 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.121 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.37 -43.76 92.81 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.338 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.3 t -63.23 -45.6 97.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.704 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.78 -42.6 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.938 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.78 -43.41 96.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.734 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.01 78.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.268 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.1 -43.32 99.06 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.801 -179.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.99 -42.76 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.732 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.58 -45.48 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.5 m -75.92 -25.99 56.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.214 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.25 -39.26 94.35 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.23 0.538 . . . . 1.0 110.155 -179.85 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.943 0.401 . . . . 1.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 74.3 p -67.72 -35.17 78.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.101 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.97 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.479 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.6 mt -61.87 -41.99 98.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 1.0 110.776 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.45 75.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.871 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.85 -42.08 99.61 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.36 0.874 . . . . 1.0 113.36 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.597 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 60.5 p-90 -67.16 -30.66 70.69 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 118.747 -1.181 . . . . 1.0 110.419 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.597 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 61.4 t -62.35 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 118.728 0.695 . . . . 1.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.31 -41.48 98.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.516 -0.549 . . . . 1.0 109.516 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.62 90.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.422 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.111 -0.235 . . . . 1.0 111.187 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.18 -44.45 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.891 -0.724 . . . . 1.0 111.666 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 25.8 m -66.47 -38.3 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.416 0.524 . . . . 1.0 112.416 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 6.5 tt -64.74 -41.36 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.575 -0.85 . . . . 1.0 111.438 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.83 -43.36 96.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.952 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 456' ' ' VAL . 93.9 mt -64.13 -41.23 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.349 0.595 . . . . 1.0 111.185 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.9 m -64.42 -47.08 80.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.354 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -41.86 90.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.115 -0.948 . . . . 1.0 110.394 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.04 88.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 452' ' ' LEU . 78.6 t -63.31 -45.37 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 114.998 -1.001 . . . . 1.0 111.623 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 457' ' ' LEU . 88.4 mt -62.65 -42.84 99.83 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.891 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.6 -43.78 95.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.072 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.19 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.78 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.311 0.577 . . . . 1.0 109.733 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -64.37 -42.42 96.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.525 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.03 -45.79 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.114 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -75.82 -23.75 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.09 93.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 465' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.778 -0.211 . . . . 1.0 110.672 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.2 p -66.68 -33.89 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.39 -43.84 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.789 HD13 ' HE1' ' A' ' 443' ' ' TRP . 3.2 mm? -61.79 -41.73 98.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.161 0.505 . . . . 1.0 110.896 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.0 76.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.058 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.8 mtt -63.27 -41.46 99.01 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.177 0.806 . . . . 1.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.789 ' HE1' HD13 ' A' ' 440' ' ' LEU . 61.6 p-90 -67.55 -31.01 70.79 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 118.314 -1.355 . . . . 1.0 110.163 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.599 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 56.4 t -61.3 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.641 0.655 . . . . 1.0 109.362 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.38 -41.73 98.86 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.368 -0.533 . . . . 1.0 109.66 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.13 95.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.07 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.44 -38.84 92.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.087 -0.245 . . . . 1.0 110.849 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.05 -43.81 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 119.884 -0.727 . . . . 1.0 110.636 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.22 -42.41 96.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.47 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 120.027 -0.669 . . . . 1.0 111.879 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -61.58 -44.75 96.44 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.05 -41.07 97.5 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.702 0.287 . . . . 1.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.6 m -63.2 -47.02 84.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.073 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.08 -38.26 81.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.538 0.685 . . . . 1.0 111.077 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.41 -44.06 92.92 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.84 -1.073 . . . . 1.0 110.561 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.9 -44.53 98.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.052 -0.976 . . . . 1.0 111.561 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.33 -43.11 99.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.259 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.14 -43.66 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.813 -0.755 . . . . 1.0 109.678 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.137 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -42.83 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.362 0.601 . . . . 1.0 109.778 -179.59 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -61.96 -42.78 99.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.043 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.09 -46.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.874 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -70.83 -27.66 64.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.103 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.49 -40.96 94.47 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.521 -0.631 . . . . 1.0 111.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 1.0 111.01 -179.449 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.232 0.159 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 37.6 t -64.82 -39.97 94.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.866 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.63 -43.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.28 -42.96 99.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.475 0.655 . . . . 1.0 109.916 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.73 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.169 -0.923 . . . . 1.0 112.023 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.69 -42.85 97.94 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.634 0.976 . . . . 1.0 113.634 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.1 p-90 -68.51 -30.98 69.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.009 -1.477 . . . . 1.0 109.711 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.448 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 57.8 t -61.45 -45.61 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 118.783 0.719 . . . . 1.0 109.486 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.65 -42.08 99.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.57 -0.452 . . . . 1.0 109.867 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.62 92.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.791 0.329 . . . . 1.0 110.977 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.8 -40.04 95.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.504 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.43 -44.17 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 120.375 -0.53 . . . . 1.0 111.99 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 20.8 m -65.02 -35.45 75.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.748 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 27.4 mm -62.93 -43.94 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -62.25 -47.28 85.06 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 452' ' ' LEU . 10.5 mp -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.377 -0.529 . . . . 1.0 111.965 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.7 m -61.8 -48.32 81.14 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.975 -0.69 . . . . 1.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.72 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.092 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.78 90.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.259 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.69 -47.02 94.87 Favored 'Isoleucine or valine' 0 C--O 1.23 0.039 0 CA-C-N 115.824 -0.626 . . . . 1.0 112.607 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 457' ' ' LEU . 10.9 mp -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.345 -0.542 . . . . 1.0 111.608 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.23 -43.7 97.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.633 -0.827 . . . . 1.0 110.022 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.36 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.14 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.049 -0.66 . . . . 1.0 109.865 -179.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -44.06 97.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.637 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.63 -45.47 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.384 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.85 -25.0 58.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.15 97.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 1.0 109.935 179.317 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.142 0.496 . . . . 1.0 109.677 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.5 m -64.21 -41.04 97.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.34 -0.846 . . . . 1.0 109.973 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.18 -43.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.801 HD12 ' HE1' ' A' ' 443' ' ' TRP . 13.3 tp -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.532 0.682 . . . . 1.0 110.026 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.93 80.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.387 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.4 mtt -63.11 -41.48 99.36 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.223 0.823 . . . . 1.0 113.223 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.801 ' HE1' HD12 ' A' ' 440' ' ' LEU . 58.6 p-90 -66.67 -29.82 69.93 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 118.349 -1.34 . . . . 1.0 110.234 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.591 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 54.6 t -62.35 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 118.881 0.764 . . . . 1.0 109.773 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.48 -41.19 98.61 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.191 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.84 98.94 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 120.211 -0.596 . . . . 1.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.98 -36.02 82.59 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 122.232 -0.293 . . . . 1.0 110.559 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -63.45 -42.44 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-O 121.502 0.667 . . . . 1.0 110.146 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.81 -42.34 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-N 114.417 -1.265 . . . . 1.0 109.362 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.41 -45.37 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 120.198 -0.601 . . . . 1.0 111.927 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.153 -0.619 . . . . 1.0 110.939 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.4 mt -63.37 -41.75 98.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.903 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.28 -48.14 79.4 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.851 -0.739 . . . . 1.0 110.165 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.36 -42.77 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.039 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 1.0 111.78 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 452' ' ' LEU . 65.5 t -62.98 -45.58 98.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 114.97 -1.014 . . . . 1.0 111.798 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -42.75 99.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.929 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.16 -43.61 97.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.793 -0.763 . . . . 1.0 109.825 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.17 79.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.209 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.71 -42.67 99.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.524 0.678 . . . . 1.0 109.947 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -62.47 -42.8 99.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.48 -47.01 88.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.173 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.48 -26.05 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.73 68.22 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.522 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.497 0.555 . . . . 1.0 112.497 -178.063 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 24.0 m -63.4 -40.32 96.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.996 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.37 -43.49 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.797 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.8 tp -61.09 -43.15 99.32 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.521 0.677 . . . . 1.0 109.857 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.48 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.981 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.9 mmm -63.04 -41.8 99.6 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.338 0.866 . . . . 1.0 113.338 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.797 ' HE1' HD12 ' A' ' 440' ' ' LEU . 58.9 p-90 -67.23 -30.13 69.96 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.598 -1.241 . . . . 1.0 110.143 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.62 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 63.0 t -62.32 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 118.627 0.648 . . . . 1.0 109.444 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.66 -41.29 98.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.39 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.3 -38.09 89.82 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.568 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.64 -43.85 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.102 0.477 . . . . 1.0 110.421 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.89 -39.89 87.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.072 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.59 -43.84 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.951 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -61.15 -44.59 97.08 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.933 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 456' ' ' VAL . 86.8 mt -65.64 -40.83 92.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 21.3 m -65.02 -49.04 71.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.666 -0.697 . . . . 1.0 112.009 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.6 tt -69.35 -37.93 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.772 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.15 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.384 0.611 . . . . 1.0 111.042 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 452' ' ' LEU . 68.6 t -63.17 -45.38 98.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 114.898 -1.046 . . . . 1.0 111.461 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.52 -42.97 99.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.609 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -43.69 95.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.456 -0.897 . . . . 1.0 109.947 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.92 -38.9 76.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 1.045 HD13 ' N ' ' A' ' 461' ' ' ARG . 0.0 OUTLIER -62.44 -39.47 93.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.948 0.795 . . . . 1.0 109.208 -178.49 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . 1.045 ' N ' HD13 ' A' ' 460' ' ' LEU . 7.5 tmm_? -63.59 -42.25 98.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.619 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.06 -45.48 92.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.779 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 76.7 m -74.16 -25.41 59.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.96 0.41 . . . . 1.0 110.065 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.03 94.6 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 1.0 110.698 -179.544 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 109.503 -0.555 . . . . 1.0 109.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 72.6 p -66.3 -37.58 85.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.601 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.091 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.885 HD12 ' HE1' ' A' ' 443' ' ' TRP . 57.6 tp -60.94 -44.26 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 1.0 110.468 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.27 96.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.185 -0.916 . . . . 1.0 112.309 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.4 mtt -64.45 -43.91 92.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.885 ' HE1' HD12 ' A' ' 440' ' ' LEU . 19.4 p-90 -69.82 -32.16 70.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 118.991 -1.084 . . . . 1.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.08 -45.01 99.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 119.39 0.995 . . . . 1.0 109.076 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.3 -41.49 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.181 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.95 99.62 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.507 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.67 -39.25 93.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.423 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.81 -43.26 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.177 -0.609 . . . . 1.0 109.931 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.46 -43.7 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.716 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.79 -44.13 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.545 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -61.31 -45.01 96.25 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.783 -0.767 . . . . 1.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 456' ' ' VAL . 89.3 mt -63.85 -41.21 97.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 1.0 111.123 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.2 m -63.2 -48.38 78.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.366 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 31.6 mm -64.0 -42.76 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.697 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.18 79.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.641 . . . . 1.0 111.24 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.8 t -62.88 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.099 -0.955 . . . . 1.0 111.806 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.75 -42.52 99.72 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.922 -0.711 . . . . 1.0 111.188 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.07 -43.43 98.6 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.664 -0.814 . . . . 1.0 109.737 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.87 -37.45 79.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.231 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.8 -43.4 98.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.181 -0.608 . . . . 1.0 109.667 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -64.49 -42.03 96.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.419 -0.81 . . . . 1.0 109.547 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . 0.648 ' O ' HG22 ' A' ' 465' ' ' ILE . 85.8 t80 -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.046 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.4 m -78.64 -21.5 48.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.75 -40.03 93.73 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.262 -1.135 . . . . 1.0 110.262 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.2 tt . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.566 0.222 . . . . 1.0 110.927 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.299 0.571 . . . . 1.0 109.838 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 10.1 t -64.1 -41.15 97.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.402 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.37 -42.5 95.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.891 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.768 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.2 tp -60.72 -42.35 97.12 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.52 0.676 . . . . 1.0 109.211 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.27 73.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.593 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.73 -41.62 98.02 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.617 0.969 . . . . 1.0 113.617 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.768 ' HE1' HD12 ' A' ' 440' ' ' LEU . 60.3 p-90 -67.63 -29.93 69.37 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 118.342 -1.343 . . . . 1.0 109.9 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.632 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 71.5 t -62.44 -45.5 98.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 118.947 0.794 . . . . 1.0 109.192 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.19 -41.57 98.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 447' ' ' LEU . 87.9 mt -63.72 -39.59 94.68 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.68 -43.15 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.345 0.593 . . . . 1.0 109.815 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.57 -43.25 98.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 1.0 110.074 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.93 -43.82 99.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 119.552 -0.261 . . . . 1.0 111.638 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -60.54 -45.16 94.91 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 119.917 -0.713 . . . . 1.0 111.082 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 456' ' ' VAL . 90.6 mt -64.2 -40.57 96.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.957 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.6 m -62.83 -47.19 84.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.488 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 455' ' ' ALA . 42.1 pt -68.27 -40.71 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.796 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 454' ' ' ILE . . . -55.65 -44.73 77.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.397 0.618 . . . . 1.0 111.246 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 452' ' ' LEU . 72.9 t -63.41 -44.86 99.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 114.793 -1.094 . . . . 1.0 111.378 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.32 -43.03 99.76 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.402 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.32 -43.26 98.3 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.159 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.27 77.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.878 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.66 -43.23 97.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.152 -0.619 . . . . 1.0 109.967 -178.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -62.83 -42.13 99.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.553 -0.749 . . . . 1.0 109.765 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.166 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.6 m -75.77 -26.0 56.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.194 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.59 95.34 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.955 0.407 . . . . 1.0 110.404 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.476 -0.564 . . . . 1.0 109.476 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.2 t -64.28 -42.21 96.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.937 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.04 -43.51 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.792 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.39 -42.95 99.54 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.454 0.645 . . . . 1.0 109.96 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.53 75.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.01 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.5 mtt -63.26 -41.65 99.07 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.353 0.871 . . . . 1.0 113.353 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.792 ' HE1' HD12 ' A' ' 440' ' ' LEU . 59.4 p-90 -67.1 -30.17 70.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 118.63 -1.228 . . . . 1.0 110.04 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.619 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.2 t -62.57 -45.82 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 118.655 0.661 . . . . 1.0 109.377 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.4 -41.61 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.49 95.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.816 -0.353 . . . . 1.0 110.822 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.9 -38.29 90.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.111 -0.236 . . . . 1.0 110.709 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.53 -43.21 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.296 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.23 -42.38 95.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.535 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 450' ' ' ILE . 36.9 mm -64.22 -44.44 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.492 -0.883 . . . . 1.0 111.048 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -60.9 -44.76 96.69 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.619 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 456' ' ' VAL . 91.9 mt -65.34 -41.94 93.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.059 0.457 . . . . 1.0 111.838 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -48.94 72.7 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.918 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 455' ' ' ALA . 20.4 tt -69.47 -38.67 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.982 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 454' ' ' ILE . . . -58.98 -43.84 91.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.444 0.64 . . . . 1.0 111.174 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.8 t -63.22 -45.55 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 114.827 -1.079 . . . . 1.0 111.607 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.67 -42.66 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.77 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.13 -43.74 97.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.875 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.26 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.215 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.465 0.65 . . . . 1.0 109.698 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.723 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 465' ' ' ILE . 90.1 t80 -59.65 -47.71 84.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.194 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.9 m -71.01 -22.75 62.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.87 88.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.5 tt . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 111.802 0.297 . . . . 1.0 111.802 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.952 0.406 . . . . 1.0 110.359 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.3 m -69.38 -43.16 74.09 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 m -66.93 -38.68 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 119.958 -0.697 . . . . 1.0 111.324 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.525 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 79.9 mt -62.51 -41.96 99.18 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.097 0.475 . . . . 1.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.04 73.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 1.0 111.96 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.05 -41.78 97.27 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.912 1.079 . . . . 1.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 440' ' ' LEU . 62.7 p-90 -69.0 -36.63 78.04 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.533 1.061 . . . . 1.0 111.802 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.402 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 5.0 p -62.59 -41.65 92.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.568 1.076 . . . . 1.0 110.106 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.35 -41.67 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.78 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.173 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.38 -39.04 93.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.607 -0.27 . . . . 1.0 110.31 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 448' ' ' ILE . 30.3 mm -61.68 -43.5 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.283 0.563 . . . . 1.0 110.18 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.26 -42.73 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.6 -43.03 98.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-O 119.747 -0.168 . . . . 1.0 111.19 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -63.46 -44.85 93.29 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.926 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 456' ' ' VAL . 3.2 mm? -63.94 -40.52 96.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.306 0.574 . . . . 1.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -63.13 -47.6 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.88 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.88 -42.7 95.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.73 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.36 79.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.377 0.608 . . . . 1.0 111.476 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 452' ' ' LEU . 62.1 t -63.06 -46.53 95.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.13 -0.941 . . . . 1.0 111.831 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.53 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.948 -0.701 . . . . 1.0 111.149 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.04 -43.8 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.602 -0.839 . . . . 1.0 110.068 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.89 -36.92 78.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.16 -42.96 99.5 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.188 -0.605 . . . . 1.0 109.707 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.95 -42.76 99.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 1.0 109.723 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.46 -46.06 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.84 -27.16 61.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.47 97.16 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.823 -0.703 . . . . 1.0 111.407 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.71 0.291 . . . . 1.0 111.062 -179.526 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 19.0 m -63.63 -40.19 96.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.123 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.99 -43.69 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.209 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.4 mt -61.79 -42.26 98.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.317 0.579 . . . . 1.0 110.951 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.78 76.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.395 -0.82 . . . . 1.0 112.037 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.28 -41.7 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.188 0.81 . . . . 1.0 113.188 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.597 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 61.8 p-90 -67.57 -31.45 71.52 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.479 -1.288 . . . . 1.0 110.098 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.597 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 57.8 t -61.45 -45.93 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 118.766 0.712 . . . . 1.0 109.512 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -42.06 98.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.49 89.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 443' ' ' TRP . 10.8 mp -63.91 -40.16 95.84 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.091 -0.244 . . . . 1.0 111.637 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 448' ' ' ILE . 28.8 mm -62.14 -43.98 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 119.189 -1.004 . . . . 1.0 110.454 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.08 -43.76 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.514 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.06 -43.59 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 112.653 0.612 . . . . 1.0 112.653 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.3 -45.63 92.39 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.92 -35.94 81.12 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.565 0.698 . . . . 1.0 112.808 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.7 m -65.44 -45.77 82.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.484 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 46.3 pt -70.47 -28.74 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 120.647 -0.421 . . . . 1.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.21 98.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.63 -0.713 . . . . 1.0 111.509 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.14 -45.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.046 -0.979 . . . . 1.0 111.932 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 457' ' ' LEU . 10.9 mp -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.368 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.26 -43.71 97.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.592 -0.843 . . . . 1.0 109.875 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.12 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.225 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.77 -43.65 97.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.126 -0.63 . . . . 1.0 109.746 -179.472 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.69 95.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.613 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.71 -45.44 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.232 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 84.2 m -77.57 -25.26 49.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.233 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.44 95.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.301 0.572 . . . . 1.0 109.742 179.213 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.86 0.362 . . . . 1.0 111.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 50.6 m -63.01 -41.18 99.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.428 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.93 -43.53 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.193 0.52 . . . . 1.0 111.147 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.88 75.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.653 -0.703 . . . . 1.0 112.156 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.84 -41.63 99.41 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.345 0.868 . . . . 1.0 113.345 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.595 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.6 p-90 -67.25 -30.54 70.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.438 -1.305 . . . . 1.0 110.332 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.595 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.0 t -61.83 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 118.732 0.697 . . . . 1.0 109.635 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.79 -40.42 97.28 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.32 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.75 94.02 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.168 -0.213 . . . . 1.0 110.637 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -40.15 96.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.565 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.3 -42.44 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.504 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.64 -43.26 98.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.17 -44.23 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.256 -0.578 . . . . 1.0 110.764 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.78 -44.35 96.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.69 -0.804 . . . . 1.0 111.325 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -41.4 96.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.192 0.52 . . . . 1.0 110.95 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.81 -47.48 80.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.58 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.77 -40.3 87.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.625 0.726 . . . . 1.0 110.374 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.49 89.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.07 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.44 -45.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.18 -0.918 . . . . 1.0 112.002 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.66 -43.08 99.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.994 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.57 -43.59 96.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.921 -0.712 . . . . 1.0 109.867 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.74 -37.24 79.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.304 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.785 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.97 -43.41 98.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.87 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.66 95.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.675 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.77 -45.51 94.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.28 -27.05 52.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.389 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.34 86.18 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.877 0.37 . . . . 1.0 110.664 -179.655 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.9 t -63.92 -41.9 97.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.187 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.68 -43.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.276 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.7 mt -61.82 -42.29 98.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 1.0 110.819 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.56 75.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.817 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -41.61 99.29 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.612 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 62.1 p-90 -67.67 -31.41 71.36 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 118.515 -1.274 . . . . 1.0 110.243 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.612 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 65.6 t -61.22 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 118.921 0.782 . . . . 1.0 109.331 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.08 -41.15 97.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 443' ' ' TRP . 10.6 mp -63.66 -39.54 94.59 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 1.0 111.424 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -62.24 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.464 0.65 . . . . 1.0 110.255 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.29 -43.6 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.441 -0.8 . . . . 1.0 110.3 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.12 -43.89 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 121.117 -0.233 . . . . 1.0 111.545 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -59.17 -45.73 90.26 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 119.776 -0.77 . . . . 1.0 111.699 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 456' ' ' VAL . 4.0 mm? -67.23 -36.3 81.37 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.489 0.661 . . . . 1.0 111.27 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 46.1 m -67.81 -49.98 59.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 118.813 -1.155 . . . . 1.0 111.592 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.3 tt -69.22 -38.8 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.51 81.17 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.493 0.663 . . . . 1.0 110.9 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.0 t -63.72 -44.63 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.613 -0.435 . . . . 1.0 111.415 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.18 -42.78 99.44 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.119 -1.033 . . . . 1.0 109.802 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.97 80.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.987 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.44 -42.68 99.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.618 . . . . 1.0 109.806 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.94 -42.62 99.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.234 -0.893 . . . . 1.0 109.935 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.03 -46.17 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.98 -27.3 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.932 0.396 . . . . 1.0 109.976 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.5 91.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 1.0 110.701 -179.457 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.088 0.471 . . . . 1.0 109.8 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -64.36 -42.15 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.921 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.95 -43.69 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.989 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 tt -61.36 -43.5 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 1.0 111.173 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.18 82.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.406 -0.815 . . . . 1.0 112.26 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.84 -41.98 97.7 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.406 0.891 . . . . 1.0 113.406 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.553 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.3 p-90 -68.44 -31.26 70.44 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 118.283 -1.367 . . . . 1.0 110.21 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.553 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 64.7 t -61.61 -45.49 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 118.692 0.678 . . . . 1.0 109.406 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -41.82 98.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.671 -0.492 . . . . 1.0 109.671 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.41 93.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.015 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.72 -38.67 91.98 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.599 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.88 -44.48 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.574 0.702 . . . . 1.0 110.007 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.79 -39.34 85.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.944 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.61 -44.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.929 -0.308 . . . . 1.0 111.079 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -62.01 -44.79 95.98 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.723 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 456' ' ' VAL . 89.9 mt -65.03 -41.69 95.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.309 0.576 . . . . 1.0 111.745 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 20.2 m -64.52 -50.19 68.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.29 -0.868 . . . . 1.0 111.713 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 455' ' ' ALA . 20.6 tt -69.37 -39.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.986 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 454' ' ' ILE . . . -57.67 -40.7 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.529 0.68 . . . . 1.0 110.52 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 452' ' ' LEU . 69.2 t -63.07 -45.02 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.718 -1.128 . . . . 1.0 111.264 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.323 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.34 -42.87 98.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.146 -1.022 . . . . 1.0 110.101 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.43 80.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.162 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.48 -42.77 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 1.0 109.793 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.27 -42.71 99.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.978 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.721 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.1 -26.98 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.895 0.379 . . . . 1.0 110.049 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.21 -40.69 92.39 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.672 0.272 . . . . 1.0 110.951 -179.314 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.1 t -64.38 -42.3 96.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.954 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.08 -43.09 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.767 HD12 ' HE1' ' A' ' 443' ' ' TRP . 13.4 tp -60.8 -42.26 97.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.491 0.662 . . . . 1.0 109.671 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 444' ' ' VAL . . . -61.25 -35.69 77.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.545 -0.752 . . . . 1.0 112.759 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -64.28 -42.0 96.64 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.115 1.154 . . . . 1.0 114.115 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.767 ' HE1' HD12 ' A' ' 440' ' ' LEU . 62.5 p-90 -67.62 -37.73 82.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 118.951 -1.1 . . . . 1.0 111.325 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 441' ' ' ALA . 5.3 p -61.77 -41.41 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 119.496 1.044 . . . . 1.0 110.265 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.09 -41.79 98.55 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.49 95.28 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 -38.78 92.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 448' ' ' ILE . 30.4 mm -62.56 -43.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.423 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.05 -42.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.303 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.01 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.941 -0.474 . . . . 1.0 111.958 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.07 -46.36 89.44 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.961 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 456' ' ' VAL . 10.4 mp -66.17 -39.32 89.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.109 0.481 . . . . 1.0 112.164 178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -64.75 -49.33 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.61 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.12 -38.33 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.881 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.69 76.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.355 0.598 . . . . 1.0 110.895 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 452' ' ' LEU . 64.9 t -62.7 -45.56 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.122 -0.944 . . . . 1.0 111.527 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.615 HD13 HD23 ' A' ' 460' ' ' LEU . 3.5 mm? -62.27 -42.98 99.81 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.511 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.13 -43.01 99.55 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.284 -0.967 . . . . 1.0 110.082 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.07 79.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.963 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.5 -43.45 97.02 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.304 -0.558 . . . . 1.0 109.792 -179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -63.58 -42.42 98.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.52 -0.763 . . . . 1.0 109.734 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.3 -45.35 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.092 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.1 m -76.52 -24.54 53.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.34 95.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.373 0.606 . . . . 1.0 109.846 179.252 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 73.6 p -65.58 -35.02 79.62 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.12 -43.17 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.178 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 440' ' ' LEU . . . . . 0.795 HD12 ' HE1' ' A' ' 443' ' ' TRP . 55.6 tp -60.76 -43.86 97.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.485 0.66 . . . . 1.0 110.121 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.19 97.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.606 -1.179 . . . . 1.0 112.385 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.2 -43.73 85.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.511 0.93 . . . . 1.0 113.511 -177.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.795 ' HE1' HD12 ' A' ' 440' ' ' LEU . 13.6 p-90 -72.31 -35.62 68.69 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 118.958 -1.097 . . . . 1.0 111.956 -178.208 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.75 -40.43 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.937 1.244 . . . . 1.0 109.404 178.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -41.28 98.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.237 178.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.54 97.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.288 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.47 -41.12 98.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.06 178.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.8 -43.97 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.003 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 453' ' ' THR . 76.1 t -63.12 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 1.0 112.695 -178.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 38.9 pt -64.62 -42.12 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.332 -177.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -60.27 -44.69 95.11 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.01 -40.61 98.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 1.0 110.883 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 449' ' ' VAL . 54.5 p -64.16 -44.81 90.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.03 -42.93 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.267 -0.879 . . . . 1.0 111.248 179.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.89 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 1.0 111.574 -178.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.66 -46.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 1.0 111.797 -178.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.505 HD13 HD23 ' A' ' 460' ' ' LEU . 3.0 mm? -62.94 -42.52 99.84 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.846 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -44.19 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.432 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.21 78.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.198 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -42.78 99.16 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.503 0.668 . . . . 1.0 109.897 -179.493 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.49 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.015 -0.993 . . . . 1.0 108.95 178.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.82 -46.18 90.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 1.0 110.543 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -66.09 -38.62 94.15 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.871 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 1.0 110.402 -179.495 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.936 -1.266 . . . . 8.9900000000000002 109.936 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.56 26.11 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.016 -0.365 . . . . 11.23 110.016 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . 0.533 ' O ' ' OG ' ' A' ' 433' ' ' SER . 0.0 OUTLIER -51.59 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.674 -0.861 . . . . 10.75 108.674 179.551 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.533 ' OG ' ' O ' ' A' ' 432' ' ' ARG . 14.7 m -178.56 -37.52 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.466 0.65 . . . . 4.7000000000000002 110.889 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 434' ' ' TRP . 5.9 m95 -53.82 86.86 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.848 1.795 . . . . 8.5600000000000005 115.848 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 437' ' ' GLU . 2.2 m-20 -78.45 93.96 4.84 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 103.619 -2.734 . . . . 3.0299999999999998 103.619 173.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 435' ' ' ASP . 4.7 p -44.0 -18.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.1 -0.704 . . . . 0.95999999999999996 109.1 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 435' ' ' ASP . 85.3 mt-10 -51.05 -42.92 60.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.466 0.65 . . . . 1.9199999999999999 110.89 176.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 2.9 m -67.36 -43.69 80.84 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 114.338 -1.301 . . . . 1.3100000000000001 111.07 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.28 -41.93 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.754 -1.202 . . . . 0.73999999999999999 107.754 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.476 ' HA ' ' NE1' ' A' ' 443' ' ' TRP . 0.2 OUTLIER -60.43 -46.56 89.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.589 1.185 . . . . 2.0600000000000001 108.747 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.11 80.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.156 -1.838 . . . . 0.20000000000000001 112.464 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 68.1 mtp -65.2 -41.42 94.56 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.999 -0.438 . . . . 1.73 112.103 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.509 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 33.8 p-90 -69.21 -28.66 66.56 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.463 -1.398 . . . . 0.5 110.059 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.509 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 90.5 t -64.09 -46.98 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 121.183 1.81 . . . . 0.82999999999999996 108.448 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 14.0 tp -62.03 -42.41 99.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.407 0.548 . . . . 1.8 110.49 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.65 99.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.734 -0.604 . . . . 0.17000000000000001 110.512 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.09 -36.16 81.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 119.042 -0.504 . . . . 1.4399999999999999 111.014 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.84 -43.44 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.465 1.029 . . . . 1.27 109.205 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.9 t -63.24 -41.96 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.043 -1.435 . . . . 0.82999999999999996 110.531 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.68 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.648 -0.658 . . . . 1.3 111.856 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -60.95 -47.62 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.314 -0.554 . . . . 0.57999999999999996 111.789 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.07 -38.93 89.53 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.478 1.132 . . . . 1.3500000000000001 111.892 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 27.9 m -59.21 -48.61 80.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 112.114 -2.312 . . . . 0.62 109.2 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.88 -41.89 85.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.755 -0.657 . . . . 1.3200000000000001 110.742 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -52.36 -47.92 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 122.029 0.918 . . . . 0.20999999999999999 112.081 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.37 -47.55 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-N 113.537 -1.665 . . . . 0.22 111.882 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -43.53 98.6 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 1.3200000000000001 110.706 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -45.59 92.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.794 0.725 . . . . 0.82999999999999996 109.65 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.465 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -70.81 -34.56 71.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 118.626 -0.702 . . . . 0.19 110.692 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.46 -43.74 96.59 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.777 1.626 . . . . 0.63 110.021 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . 0.464 ' CD ' ' C ' ' A' ' 461' ' ' ARG . 0.1 OUTLIER -71.16 -47.61 56.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.057 -1.429 . . . . 2.9199999999999999 112.551 -179.356 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -56.12 -40.98 74.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.99 -1.115 . . . . 0.44 107.99 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 468' ' ' TYR . 27.8 m -80.85 -24.88 38.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.975 0.417 . . . . 0.33000000000000002 109.976 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.79 -46.12 94.31 Favored Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.274 -0.73 . . . . 0.27000000000000002 111.274 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 14.0 tt -73.11 -18.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.327 1.06 . . . . 0.62 112.65 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.472 ' C ' ' H ' ' A' ' 468' ' ' TYR . 0.4 OUTLIER -77.24 -10.35 59.37 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.229 -1.805 . . . . 3.5099999999999998 111.122 174.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 72.43 0.47 47.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 105.914 -2.875 . . . . 0.70999999999999996 105.914 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 470' ' ' LEU . 9.6 t80 -28.61 -45.88 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.694 -0.753 . . . . 5.4000000000000004 112.185 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.467 ' C ' ' N ' ' A' ' 471' ' ' ARG . 1.2 mmp_? -60.07 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 124.048 0.842 . . . . 9.1199999999999992 110.971 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . 0.686 ' N ' ' O ' ' A' ' 468' ' ' TYR . 0.8 OUTLIER -58.81 -22.9 59.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 104.315 -2.476 . . . . 7.1399999999999997 104.315 177.065 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . 0.537 HH11 ' CG ' ' A' ' 471' ' ' ARG . 1.2 ttt-85 -82.19 98.15 8.59 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 112.331 -2.213 . . . . 10.880000000000001 112.412 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.424 HH11 ' HG3' ' A' ' 472' ' ' ARG . 38.1 ttm-85 -154.1 46.41 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.867 -1.531 . . . . 11.630000000000001 106.867 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 87.0 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-N 113.838 -1.528 . . . . 13.23 111.086 -178.251 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.586 -1.406 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.92 144.83 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.746 0.308 . . . . 1.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.91 136.05 42.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.6 t -61.57 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.635 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -109.43 144.03 38.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.655 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.56 112.54 24.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.466 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.6 p -68.08 -18.26 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.535 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 20.6 m -63.77 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.058 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.109 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 88.5 mt -61.83 -42.28 98.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.186 0.517 . . . . 1.0 110.9 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.77 76.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.001 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.08 -41.62 99.45 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.32 0.859 . . . . 1.0 113.32 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.612 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 60.0 p-90 -67.75 -30.56 70.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 118.582 -1.247 . . . . 1.0 110.376 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.612 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.9 t -62.21 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 118.745 0.702 . . . . 1.0 109.371 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.73 -41.25 99.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.05 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.849 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.65 -39.46 94.4 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.986 -0.286 . . . . 1.0 110.453 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.44 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.102 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.0 mm -62.85 -43.78 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.629 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -62.78 -45.06 94.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.01 -0.676 . . . . 1.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 456' ' ' VAL . 96.2 mt -64.52 -40.81 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.0 110.513 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 30.0 m -63.82 -47.95 78.76 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 119.731 -0.787 . . . . 1.0 110.56 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -42.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.648 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.44 -43.49 83.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.239 0.542 . . . . 1.0 111.694 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 452' ' ' LEU . 67.4 t -63.24 -45.36 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.126 -0.943 . . . . 1.0 111.85 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.968 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.34 -43.66 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.959 -0.697 . . . . 1.0 109.908 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.19 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.212 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.95 -43.48 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.209 -0.596 . . . . 1.0 109.738 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.2 -42.25 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.316 -0.856 . . . . 1.0 109.609 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 465' ' ' ILE . 89.2 t80 -59.81 -46.53 88.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.5 m -76.12 -22.03 55.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.15 91.59 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.7 tt -88.49 -2.1 8.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.62 -4.66 16.04 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.791 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 76.36 21.58 75.08 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.566 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.454 ' O ' ' O ' ' A' ' 467' ' ' GLY . 86.6 t80 34.95 97.43 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.006 0.431 . . . . 1.0 111.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 80.8 mtp85 -72.1 149.84 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.717 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.57 130.72 47.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.472 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.73 -43.2 99.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 41.25 79.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.375 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.581 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.98 -42.01 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 1.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 435' ' ' ASP . 40.5 ptt180 -140.3 148.81 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.54 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.406 ' O ' ' OG1' ' A' ' 436' ' ' THR . 78.1 p -65.78 -18.96 65.7 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.842 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -59.44 -35.69 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 1.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 436' ' ' THR . 54.6 p-10 -63.64 -33.9 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.487 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.562 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 70.3 p -66.21 -19.88 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.277 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.09 -41.32 97.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.47 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 16.1 m -63.97 -39.92 95.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.882 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.02 -43.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.229 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 86.0 mt -61.84 -42.21 98.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.255 0.55 . . . . 1.0 110.961 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.37 78.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.553 -0.749 . . . . 1.0 112.207 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.7 mtt -63.09 -41.82 99.47 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.484 0.92 . . . . 1.0 113.484 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.585 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 63.0 p-90 -67.57 -31.6 71.78 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.686 -1.206 . . . . 1.0 110.614 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.585 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 53.4 t -62.09 -45.13 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.676 . . . . 1.0 109.262 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.91 -43.05 99.64 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.07 -0.652 . . . . 1.0 109.286 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.12 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 1.0 111.354 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.13 -38.66 91.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 121.047 -0.261 . . . . 1.0 111.249 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.02 -43.73 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.325 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.59 -43.25 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 1.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.56 -43.91 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.821 -0.351 . . . . 1.0 111.449 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -63.03 -44.46 95.84 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.509 -0.877 . . . . 1.0 110.675 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.5 mt -63.89 -41.5 97.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 1.0 110.696 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -63.19 -47.8 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.108 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.67 -43.09 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.115 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.68 85.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.308 0.575 . . . . 1.0 111.537 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 452' ' ' LEU . 68.2 t -63.16 -45.72 97.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.102 -0.953 . . . . 1.0 111.684 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.61 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.934 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.13 -43.6 97.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.8 -0.76 . . . . 1.0 109.898 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.08 78.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.112 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 1.0 109.678 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -42.27 97.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.244 -0.889 . . . . 1.0 109.785 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.75 -46.47 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 1.0 109.897 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.65 -22.92 56.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.75 91.92 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.7 tt -88.51 -2.35 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 111.745 0.276 . . . . 1.0 111.745 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -109.83 -2.88 17.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.61 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 76.23 22.53 73.34 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' A' ' 467' ' ' GLY . 92.4 t80 38.37 96.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.931 0.396 . . . . 1.0 111.02 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -128.3 148.37 50.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -108.06 131.59 54.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.371 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -74.18 143.6 45.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.58 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -76.65 144.57 39.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.593 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.658 ' N ' ' HG ' ' A' ' 433' ' ' SER . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.05 -41.91 99.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 1.0 110.631 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.73 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.999 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.658 ' HG ' ' N ' ' A' ' 430' ' ' GLY . 11.1 p -76.43 165.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.203 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -71.19 137.91 49.11 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 1.0 110.214 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -67.38 139.72 57.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.956 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.6 p -68.97 -17.54 63.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.172 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.81 -38.37 90.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -67.65 -35.69 79.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.96 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.56 -43.57 96.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.516 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.18 -43.45 98.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.442 0.639 . . . . 1.0 110.59 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.81 84.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.941 -1.027 . . . . 1.0 111.878 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.77 -42.95 97.68 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.543 0.942 . . . . 1.0 113.543 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.485 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 55.3 p-90 -69.07 -31.83 70.87 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 118.152 -1.419 . . . . 1.0 110.017 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.485 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 60.1 t -61.77 -45.64 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 118.693 0.679 . . . . 1.0 109.621 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.8 -42.2 99.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.72 93.08 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.164 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -38.67 91.93 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.08 -0.248 . . . . 1.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 4.0 mm -61.72 -43.94 97.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.551 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.82 -41.99 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.07 -44.78 99.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.701 -0.4 . . . . 1.0 111.097 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -63.91 -43.85 94.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.704 -0.798 . . . . 1.0 110.613 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.01 -41.76 97.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -63.37 -47.56 81.55 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.65 0.738 . . . . 1.0 110.475 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.1 -42.81 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.074 -0.966 . . . . 1.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.06 82.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.801 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.161 -0.927 . . . . 1.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.503 HD13 HD23 ' A' ' 460' ' ' LEU . 3.0 mm? -62.69 -42.54 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.326 -0.549 . . . . 1.0 110.941 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.07 -43.7 97.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.852 -0.739 . . . . 1.0 109.91 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.13 79.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.034 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.93 -43.42 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.584 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.28 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.187 -0.915 . . . . 1.0 109.189 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . 0.667 ' O ' HG22 ' A' ' 465' ' ' ILE . 86.4 t80 -59.58 -45.69 91.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.263 -0.881 . . . . 1.0 110.304 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 86.1 m -78.08 -21.77 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.75 94.77 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.449 -1.06 . . . . 1.0 110.449 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.7 tt -72.25 -1.78 2.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.551 0.215 . . . . 1.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -107.21 -0.32 22.75 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.544 -0.462 . . . . 1.0 109.762 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 86.28 8.23 78.48 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.905 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.76 137.91 51.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.752 0.31 . . . . 1.0 110.6 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.682 HH21 ' NH2' ' A' ' 472' ' ' ARG . 90.2 mtm180 -129.44 146.93 51.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.64 131.91 54.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.487 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 41.14 82.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.621 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.682 ' NH2' HH21 ' A' ' 469' ' ' ARG . 99.8 mtt180 -64.22 -39.62 94.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.537 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 1.0 110.561 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.9 145.22 50.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 1.0 110.472 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -129.35 147.86 51.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 31.9 p -153.49 162.84 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.68 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.97 143.8 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.549 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.75 142.11 57.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.1 p -68.21 -17.94 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.567 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.08 -39.56 94.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.1 p -68.08 -35.8 78.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.103 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.46 -43.47 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.799 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.62 -43.01 99.66 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.497 0.665 . . . . 1.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.87 76.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.225 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.073 0.768 . . . . 1.0 113.073 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.799 ' HE1' HD12 ' A' ' 440' ' ' LEU . 59.8 p-90 -66.6 -30.11 70.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 118.333 -1.347 . . . . 1.0 110.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.617 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 55.2 t -62.66 -46.32 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 118.722 0.692 . . . . 1.0 109.836 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.86 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.618 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 447' ' ' LEU . 94.7 mt -63.7 -37.72 88.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.176 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.92 -41.54 91.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.565 1.174 . . . . 1.0 108.687 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.06 -43.41 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 114.922 -1.035 . . . . 1.0 110.119 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.24 -45.12 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.088 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -63.52 -43.19 97.9 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.007 -1.077 . . . . 1.0 110.954 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.6 mt -64.52 -41.39 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.329 0.585 . . . . 1.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.7 m -63.16 -48.26 79.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.04 -0.982 . . . . 1.0 110.189 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -42.79 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.0 80.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.66 0.743 . . . . 1.0 111.649 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.6 t -62.66 -45.99 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.706 -1.133 . . . . 1.0 111.706 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.72 -43.08 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.577 -0.449 . . . . 1.0 111.131 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.32 -43.57 97.4 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.01 -0.676 . . . . 1.0 109.874 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.261 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.35 -43.08 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.232 -0.587 . . . . 1.0 109.789 -179.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.64 -42.82 98.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.393 -0.821 . . . . 1.0 109.885 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.52 -46.07 91.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.64 -27.2 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.186 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.01 -40.52 97.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.712 -0.756 . . . . 1.0 111.424 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.27 -1.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.632 0.253 . . . . 1.0 111.003 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -103.43 -11.64 17.7 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.627 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.15 68.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 46.91 -100.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.317 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -127.74 146.32 50.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.471 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.67 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -129.26 145.21 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.639 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.51 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.586 -1.406 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.09 -41.96 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -74.99 145.22 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.393 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.7 p -155.03 162.51 41.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.801 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -110.41 147.03 34.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -87.57 111.49 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.985 0.421 . . . . 1.0 110.287 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 p -68.07 -18.27 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.376 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.57 -41.27 98.4 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.25 -0.58 . . . . 1.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 48.3 m -63.58 -41.04 98.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.132 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.21 -43.31 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.816 HD12 ' HE1' ' A' ' 443' ' ' TRP . 14.8 tp -61.05 -43.54 98.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 1.0 109.844 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.69 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.139 -0.937 . . . . 1.0 112.241 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.56 -41.69 98.4 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.816 ' HE1' HD12 ' A' ' 440' ' ' LEU . 60.7 p-90 -66.89 -30.82 71.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.177 -1.409 . . . . 1.0 109.711 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.446 HG22 ' CH2' ' A' ' 443' ' ' TRP . 61.8 t -61.21 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.64 0.654 . . . . 1.0 109.756 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.37 -42.33 99.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.601 -0.44 . . . . 1.0 109.816 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.85 88.58 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.856 -0.338 . . . . 1.0 111.288 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.42 -38.5 91.25 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.548 -0.461 . . . . 1.0 111.206 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -42.87 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.321 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.23 -42.48 96.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.899 -1.046 . . . . 1.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.74 -43.72 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 120.869 0.366 . . . . 1.0 111.593 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.58 -47.0 85.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 119.38 -0.928 . . . . 1.0 111.149 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 456' ' ' VAL . 10.0 mp -64.16 -40.4 96.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.17 0.51 . . . . 1.0 111.813 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.1 m -62.59 -48.35 79.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.454 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.91 -39.28 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.121 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.37 -43.76 92.81 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.338 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.3 t -63.23 -45.6 97.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.704 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.78 -42.6 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.938 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.78 -43.41 96.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.734 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.01 78.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.268 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.1 -43.32 99.06 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.801 -179.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.99 -42.76 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.732 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.58 -45.48 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.5 m -75.92 -25.99 56.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.214 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.25 -39.26 94.35 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -87.52 -0.48 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.23 0.538 . . . . 1.0 110.155 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -97.03 -7.27 33.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.704 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.05 18.07 63.81 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -60.67 -47.45 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.86 -42.95 97.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.324 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.98 143.1 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -128.03 146.0 50.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.433 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 40.06 81.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.689 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.46 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.06 -41.83 99.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 1.0 110.646 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.44 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.8 m -72.44 148.63 44.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.599 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -108.09 143.79 36.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.446 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -91.77 112.11 23.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.1 m -65.79 -19.9 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.827 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.63 -39.5 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.401 . . . . 1.0 110.094 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 74.3 p -67.72 -35.17 78.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.101 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.97 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.479 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.6 mt -61.87 -41.99 98.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 1.0 110.776 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.45 75.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.871 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.85 -42.08 99.61 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.36 0.874 . . . . 1.0 113.36 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.597 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 60.5 p-90 -67.16 -30.66 70.69 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 118.747 -1.181 . . . . 1.0 110.419 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.597 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 61.4 t -62.35 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 118.728 0.695 . . . . 1.0 109.344 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.31 -41.48 98.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.516 -0.549 . . . . 1.0 109.516 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.62 90.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.422 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.111 -0.235 . . . . 1.0 111.187 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.18 -44.45 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.891 -0.724 . . . . 1.0 111.666 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 25.8 m -66.47 -38.3 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.416 0.524 . . . . 1.0 112.416 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 6.5 tt -64.74 -41.36 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.575 -0.85 . . . . 1.0 111.438 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.83 -43.36 96.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.952 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 456' ' ' VAL . 93.9 mt -64.13 -41.23 97.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.349 0.595 . . . . 1.0 111.185 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.9 m -64.42 -47.08 80.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.354 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -41.86 90.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.115 -0.948 . . . . 1.0 110.394 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.04 88.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 452' ' ' LEU . 78.6 t -63.31 -45.37 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 114.998 -1.001 . . . . 1.0 111.623 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 457' ' ' LEU . 88.4 mt -62.65 -42.84 99.83 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.891 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.6 -43.78 95.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.072 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.19 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.78 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.311 0.577 . . . . 1.0 109.733 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -64.37 -42.42 96.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.525 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.03 -45.79 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.114 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -75.82 -23.75 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.09 93.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 465' ' ' ILE . 0.4 OUTLIER -70.81 -2.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.778 -0.211 . . . . 1.0 110.672 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -108.09 -0.09 21.35 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 81.98 15.54 74.68 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -70.52 131.58 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 1.0 110.584 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.62 147.48 52.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.56 141.0 44.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.458 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -125.34 131.83 52.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -88.06 140.2 29.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.95 -1.024 . . . . 1.0 110.339 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.408 -1.477 . . . . 1.0 109.408 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 434' ' ' TRP . 88.7 tttt -62.5 -44.38 96.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 1.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.845 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 39.3 t -61.54 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.511 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . 0.455 ' O ' ' O ' ' A' ' 431' ' ' LYS . 99.1 m95 -108.15 141.75 39.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.886 0.374 . . . . 1.0 111.075 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -95.34 111.61 23.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.8 p -69.46 -18.21 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.452 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.44 -35.08 76.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.832 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.2 p -66.68 -33.89 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.39 -43.84 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.789 HD13 ' HE1' ' A' ' 443' ' ' TRP . 3.2 mm? -61.79 -41.73 98.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.161 0.505 . . . . 1.0 110.896 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.0 76.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.058 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.8 mtt -63.27 -41.46 99.01 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.177 0.806 . . . . 1.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.789 ' HE1' HD13 ' A' ' 440' ' ' LEU . 61.6 p-90 -67.55 -31.01 70.79 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 118.314 -1.355 . . . . 1.0 110.163 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.599 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 56.4 t -61.3 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 118.641 0.655 . . . . 1.0 109.362 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.38 -41.73 98.86 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.368 -0.533 . . . . 1.0 109.66 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.13 95.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.07 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.44 -38.84 92.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.087 -0.245 . . . . 1.0 110.849 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.05 -43.81 98.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 119.884 -0.727 . . . . 1.0 110.636 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.22 -42.41 96.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.47 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 120.027 -0.669 . . . . 1.0 111.879 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -61.58 -44.75 96.44 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.05 -41.07 97.5 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.702 0.287 . . . . 1.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.6 m -63.2 -47.02 84.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.073 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.08 -38.26 81.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.538 0.685 . . . . 1.0 111.077 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.41 -44.06 92.92 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.84 -1.073 . . . . 1.0 110.561 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.9 -44.53 98.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.052 -0.976 . . . . 1.0 111.561 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.33 -43.11 99.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.259 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.14 -43.66 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.813 -0.755 . . . . 1.0 109.678 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.137 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -42.83 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.362 0.601 . . . . 1.0 109.778 -179.59 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -61.96 -42.78 99.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.043 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.09 -46.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.874 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -70.83 -27.66 64.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.103 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.49 -40.96 94.47 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.521 -0.631 . . . . 1.0 111.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.03 -0.94 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 1.0 111.01 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -103.59 -7.21 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 1.0 110.408 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 80.89 20.95 64.32 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 48.8 -103.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.438 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -123.4 129.72 51.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.7 mt -112.29 130.95 55.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.447 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -64.85 -36.88 85.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.452 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -70.89 144.65 50.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.303 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.354 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.541 -1.424 . . . . 1.0 109.541 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.25 -41.89 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 1.0 110.554 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.48 143.54 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.675 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 77.8 p -62.81 -35.81 81.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.69 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.98 144.25 37.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -90.77 110.3 21.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.966 0.412 . . . . 1.0 110.621 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 70.3 p -67.79 -18.21 64.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.29 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 37.6 t -64.82 -39.97 94.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.866 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.63 -43.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.28 -42.96 99.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.475 0.655 . . . . 1.0 109.916 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.73 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.169 -0.923 . . . . 1.0 112.023 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.69 -42.85 97.94 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.634 0.976 . . . . 1.0 113.634 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.1 p-90 -68.51 -30.98 69.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.009 -1.477 . . . . 1.0 109.711 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.448 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 57.8 t -61.45 -45.61 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 118.783 0.719 . . . . 1.0 109.486 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.65 -42.08 99.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.57 -0.452 . . . . 1.0 109.867 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.62 92.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.791 0.329 . . . . 1.0 110.977 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.8 -40.04 95.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.504 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.43 -44.17 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 120.375 -0.53 . . . . 1.0 111.99 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 20.8 m -65.02 -35.45 75.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.748 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 27.4 mm -62.93 -43.94 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -62.25 -47.28 85.06 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 452' ' ' LEU . 10.5 mp -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.377 -0.529 . . . . 1.0 111.965 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.7 m -61.8 -48.32 81.14 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.975 -0.69 . . . . 1.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.72 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.092 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.78 90.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.259 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.69 -47.02 94.87 Favored 'Isoleucine or valine' 0 C--O 1.23 0.039 0 CA-C-N 115.824 -0.626 . . . . 1.0 112.607 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 457' ' ' LEU . 10.9 mp -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.345 -0.542 . . . . 1.0 111.608 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.23 -43.7 97.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.633 -0.827 . . . . 1.0 110.022 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.36 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.14 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.049 -0.66 . . . . 1.0 109.865 -179.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -44.06 97.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.637 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.63 -45.47 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.384 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.85 -25.0 58.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.15 97.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 19.8 tt -81.79 -0.67 4.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 1.0 109.935 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -95.77 -9.36 31.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.904 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 85.64 20.77 55.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 469' ' ' ARG . 88.5 t80 -69.4 130.65 43.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.862 -0.335 . . . . 1.0 110.176 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 468' ' ' TYR . 96.1 mtt180 27.86 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 111.999 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 470' ' ' LEU . 3.8 mm? -77.26 141.39 40.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.09 -39.58 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -96.13 137.07 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.507 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.418 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -126.92 145.14 50.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 1.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -75.52 143.83 42.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.402 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.703 ' OG ' HG23 ' A' ' 436' ' ' THR . 85.8 p -75.41 159.14 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.606 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -61.4 -40.06 92.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -62.58 -39.14 92.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.037 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.703 HG23 ' OG ' ' A' ' 433' ' ' SER . 65.8 p -66.19 -21.82 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.316 -0.24 . . . . 1.0 111.622 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.979 -0.689 . . . . 1.0 109.677 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.5 m -64.21 -41.04 97.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.34 -0.846 . . . . 1.0 109.973 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.18 -43.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.801 HD12 ' HE1' ' A' ' 443' ' ' TRP . 13.3 tp -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.532 0.682 . . . . 1.0 110.026 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.93 80.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.387 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.4 mtt -63.11 -41.48 99.36 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.223 0.823 . . . . 1.0 113.223 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.801 ' HE1' HD12 ' A' ' 440' ' ' LEU . 58.6 p-90 -66.67 -29.82 69.93 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 118.349 -1.34 . . . . 1.0 110.234 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.591 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 54.6 t -62.35 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 118.881 0.764 . . . . 1.0 109.773 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.48 -41.19 98.61 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.191 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.84 98.94 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 120.211 -0.596 . . . . 1.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.98 -36.02 82.59 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 122.232 -0.293 . . . . 1.0 110.559 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -63.45 -42.44 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-O 121.502 0.667 . . . . 1.0 110.146 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.81 -42.34 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-N 114.417 -1.265 . . . . 1.0 109.362 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.41 -45.37 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 120.198 -0.601 . . . . 1.0 111.927 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.153 -0.619 . . . . 1.0 110.939 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 456' ' ' VAL . 88.4 mt -63.37 -41.75 98.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.903 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.28 -48.14 79.4 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.851 -0.739 . . . . 1.0 110.165 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.36 -42.77 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.039 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 1.0 111.78 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 452' ' ' LEU . 65.5 t -62.98 -45.58 98.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 114.97 -1.014 . . . . 1.0 111.798 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -42.75 99.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.929 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.16 -43.61 97.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.793 -0.763 . . . . 1.0 109.825 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.17 79.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.209 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.71 -42.67 99.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.524 0.678 . . . . 1.0 109.947 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -62.47 -42.8 99.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.48 -47.01 88.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.173 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.48 -26.05 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.73 68.22 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 115.571 -0.74 . . . . 1.0 112.522 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.45 -3.07 9.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.497 0.555 . . . . 1.0 112.497 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -109.46 2.83 20.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.723 0.297 . . . . 1.0 110.761 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 75.85 22.89 73.63 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.305 -0.718 . . . . 1.0 111.305 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 467' ' ' GLY . 93.3 m-85 58.17 138.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.039 0.447 . . . . 1.0 110.823 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -61.34 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.541 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.48 128.97 55.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.623 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -69.87 134.85 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.35 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.85 145.57 51.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.508 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.087 -0.959 . . . . 1.0 110.522 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.487 -1.445 . . . . 1.0 109.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.11 145.53 50.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -128.56 146.62 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 68.5 m -130.24 152.91 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.596 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -110.52 145.45 37.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.24 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -89.79 111.94 23.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.701 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.0 p -68.23 -17.92 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.298 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.5 -39.94 95.77 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 24.0 m -63.4 -40.32 96.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.996 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.37 -43.49 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.797 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.8 tp -61.09 -43.15 99.32 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.521 0.677 . . . . 1.0 109.857 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.48 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.981 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 89.9 mmm -63.04 -41.8 99.6 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.338 0.866 . . . . 1.0 113.338 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.797 ' HE1' HD12 ' A' ' 440' ' ' LEU . 58.9 p-90 -67.23 -30.13 69.96 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 118.598 -1.241 . . . . 1.0 110.143 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.62 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 63.0 t -62.32 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 118.627 0.648 . . . . 1.0 109.444 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.66 -41.29 98.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.39 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.3 -38.09 89.82 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.568 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.64 -43.85 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.102 0.477 . . . . 1.0 110.421 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.89 -39.89 87.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.072 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.59 -43.84 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.951 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -61.15 -44.59 97.08 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.933 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 456' ' ' VAL . 86.8 mt -65.64 -40.83 92.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 21.3 m -65.02 -49.04 71.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.666 -0.697 . . . . 1.0 112.009 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.6 tt -69.35 -37.93 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.772 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.15 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.384 0.611 . . . . 1.0 111.042 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 452' ' ' LEU . 68.6 t -63.17 -45.38 98.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 114.898 -1.046 . . . . 1.0 111.461 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.52 -42.97 99.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.609 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -43.69 95.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.456 -0.897 . . . . 1.0 109.947 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.92 -38.9 76.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 1.045 HD13 ' N ' ' A' ' 461' ' ' ARG . 0.0 OUTLIER -62.44 -39.47 93.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.948 0.795 . . . . 1.0 109.208 -178.49 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . 1.045 ' N ' HD13 ' A' ' 460' ' ' LEU . 7.5 tmm_? -63.59 -42.25 98.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.619 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.06 -45.48 92.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.779 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 76.7 m -74.16 -25.41 59.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.96 0.41 . . . . 1.0 110.065 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.03 94.6 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -88.62 -0.76 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 1.0 110.698 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -101.51 -7.15 23.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.398 . . . . 1.0 110.086 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 83.55 19.04 62.75 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 467' ' ' GLY . 97.0 m-85 56.3 154.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.046 0.451 . . . . 1.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.18 -39.16 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.399 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.9 141.86 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.483 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.45 -39.64 94.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.555 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -75.4 144.22 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.635 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.019 -0.991 . . . . 1.0 110.509 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.27 -41.07 98.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.91 0.386 . . . . 1.0 110.659 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.35 -39.78 94.57 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.51 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.6 p -74.26 157.65 35.46 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 121.096 0.474 . . . . 1.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -92.86 -8.57 43.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.803 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -65.59 -39.51 91.65 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.057 -0.657 . . . . 1.0 110.073 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.9 p -65.0 -25.43 67.86 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-O 122.399 1.095 . . . . 1.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.26 -38.2 79.51 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 119.057 -1.057 . . . . 1.0 109.503 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 72.6 p -66.3 -37.58 85.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.601 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.091 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.885 HD12 ' HE1' ' A' ' 443' ' ' TRP . 57.6 tp -60.94 -44.26 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 1.0 110.468 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.27 96.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.185 -0.916 . . . . 1.0 112.309 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.4 mtt -64.45 -43.91 92.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.885 ' HE1' HD12 ' A' ' 440' ' ' LEU . 19.4 p-90 -69.82 -32.16 70.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 118.991 -1.084 . . . . 1.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.08 -45.01 99.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 119.39 0.995 . . . . 1.0 109.076 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.3 -41.49 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.181 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.95 99.62 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.507 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.67 -39.25 93.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.423 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.81 -43.26 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.177 -0.609 . . . . 1.0 109.931 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.46 -43.7 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.716 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.79 -44.13 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.545 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -61.31 -45.01 96.25 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.783 -0.767 . . . . 1.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 456' ' ' VAL . 89.3 mt -63.85 -41.21 97.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.031 0.443 . . . . 1.0 111.123 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.2 m -63.2 -48.38 78.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.366 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 31.6 mm -64.0 -42.76 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.697 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.18 79.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.641 . . . . 1.0 111.24 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.8 t -62.88 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.099 -0.955 . . . . 1.0 111.806 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.75 -42.52 99.72 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.922 -0.711 . . . . 1.0 111.188 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.07 -43.43 98.6 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.664 -0.814 . . . . 1.0 109.737 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.87 -37.45 79.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.231 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.8 -43.4 98.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.181 -0.608 . . . . 1.0 109.667 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -64.49 -42.03 96.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.419 -0.81 . . . . 1.0 109.547 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . 0.648 ' O ' HG22 ' A' ' 465' ' ' ILE . 85.8 t80 -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.046 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.4 m -78.64 -21.5 48.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.75 -40.03 93.73 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.262 -1.135 . . . . 1.0 110.262 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.2 tt -71.76 -1.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.566 0.222 . . . . 1.0 110.927 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -106.5 0.2 24.48 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 87.48 10.32 70.83 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 115.82 -0.627 . . . . 1.0 112.244 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.63 135.91 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.7 0.25 . . . . 1.0 110.662 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -126.71 134.45 50.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.4 mt -110.47 132.09 54.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.607 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -127.87 145.92 50.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.56 144.85 41.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.232 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 66.1 tttm . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 118.141 -0.933 . . . . 1.0 110.213 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.598 -1.401 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.35 -42.31 98.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 1.0 110.194 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.71 -37.57 87.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 90.0 p -73.58 163.18 28.36 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.963 0.411 . . . . 1.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -110.84 143.45 41.4 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.72 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.997 0.427 . . . . 1.0 111.171 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 40.2 p -67.99 -19.97 64.98 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.17 -39.55 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.299 0.571 . . . . 1.0 109.838 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 10.1 t -64.1 -41.15 97.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.402 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.37 -42.5 95.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.891 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.768 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.2 tp -60.72 -42.35 97.12 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.52 0.676 . . . . 1.0 109.211 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.27 73.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.593 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.73 -41.62 98.02 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.617 0.969 . . . . 1.0 113.617 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.768 ' HE1' HD12 ' A' ' 440' ' ' LEU . 60.3 p-90 -67.63 -29.93 69.37 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 118.342 -1.343 . . . . 1.0 109.9 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.632 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 71.5 t -62.44 -45.5 98.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 118.947 0.794 . . . . 1.0 109.192 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.19 -41.57 98.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 447' ' ' LEU . 87.9 mt -63.72 -39.59 94.68 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.68 -43.15 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.345 0.593 . . . . 1.0 109.815 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.57 -43.25 98.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 1.0 110.074 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.93 -43.82 99.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 119.552 -0.261 . . . . 1.0 111.638 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -60.54 -45.16 94.91 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 119.917 -0.713 . . . . 1.0 111.082 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 456' ' ' VAL . 90.6 mt -64.2 -40.57 96.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.957 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 98.6 m -62.83 -47.19 84.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.73 -0.788 . . . . 1.0 111.488 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 455' ' ' ALA . 42.1 pt -68.27 -40.71 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.796 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 454' ' ' ILE . . . -55.65 -44.73 77.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.397 0.618 . . . . 1.0 111.246 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 452' ' ' LEU . 72.9 t -63.41 -44.86 99.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 114.793 -1.094 . . . . 1.0 111.378 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.32 -43.03 99.76 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.402 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.32 -43.26 98.3 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.159 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.27 77.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.878 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.66 -43.23 97.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.152 -0.619 . . . . 1.0 109.967 -178.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -62.83 -42.13 99.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.553 -0.749 . . . . 1.0 109.765 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.01 -45.58 94.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.166 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.6 m -75.77 -26.0 56.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.194 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.59 95.34 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -89.41 -1.3 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.955 0.407 . . . . 1.0 110.404 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -97.25 -9.1 28.33 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 86.24 10.68 73.99 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.55 -0.583 . . . . 1.0 112.174 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -113.95 129.34 56.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.835 0.817 . . . . 1.0 112.32 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.215 -0.902 . . . . 1.0 111.146 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.4 mt -37.93 105.82 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.118 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -65.26 -43.28 91.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.235 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -105.26 138.46 41.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.51 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.096 -0.954 . . . . 1.0 110.194 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.547 -1.421 . . . . 1.0 109.547 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.08 -41.98 99.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 1.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -75.23 144.43 42.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.5 m -60.23 -42.77 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -111.23 137.65 48.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.758 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -98.23 110.58 23.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.353 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.9 p -68.15 -20.07 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.926 -0.31 . . . . 1.0 110.234 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.22 -41.3 94.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.476 -0.564 . . . . 1.0 109.476 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.2 t -64.28 -42.21 96.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.937 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.04 -43.51 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.792 HD12 ' HE1' ' A' ' 443' ' ' TRP . 12.7 tp -61.39 -42.95 99.54 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.454 0.645 . . . . 1.0 109.96 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.53 75.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.01 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.5 mtt -63.26 -41.65 99.07 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.353 0.871 . . . . 1.0 113.353 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.792 ' HE1' HD12 ' A' ' 440' ' ' LEU . 59.4 p-90 -67.1 -30.17 70.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 118.63 -1.228 . . . . 1.0 110.04 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.619 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.2 t -62.57 -45.82 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 118.655 0.661 . . . . 1.0 109.377 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.4 -41.61 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.49 95.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.816 -0.353 . . . . 1.0 110.822 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.9 -38.29 90.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.111 -0.236 . . . . 1.0 110.709 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.53 -43.21 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.296 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.23 -42.38 95.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.535 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 450' ' ' ILE . 36.9 mm -64.22 -44.44 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.492 -0.883 . . . . 1.0 111.048 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -60.9 -44.76 96.69 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.619 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 456' ' ' VAL . 91.9 mt -65.34 -41.94 93.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.059 0.457 . . . . 1.0 111.838 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -48.94 72.7 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.918 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 455' ' ' ALA . 20.4 tt -69.47 -38.67 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.982 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 454' ' ' ILE . . . -58.98 -43.84 91.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.444 0.64 . . . . 1.0 111.174 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.8 t -63.22 -45.55 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 114.827 -1.079 . . . . 1.0 111.607 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.67 -42.66 99.74 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.77 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.13 -43.74 97.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.875 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.26 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.215 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.34 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.465 0.65 . . . . 1.0 109.698 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.723 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 465' ' ' ILE . 90.1 t80 -59.65 -47.71 84.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.194 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 78.9 m -71.01 -22.75 62.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.87 88.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 462' ' ' PHE . 19.5 tt -88.58 -2.35 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 111.802 0.297 . . . . 1.0 111.802 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -109.73 -2.96 17.06 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.629 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.55 19.14 64.6 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.258 -0.496 . . . . 1.0 112.775 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.21 139.02 49.13 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.889 0.376 . . . . 1.0 110.851 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 59.48 43.66 15.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.421 0.629 . . . . 1.0 109.502 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.14 -41.88 99.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.435 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -102.4 137.44 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.571 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -140.17 153.42 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.507 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.528 ' N ' ' OG1' ' A' ' 436' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.35 -44.21 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 1.0 110.628 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.54 -43.68 98.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.427 ' OG ' HG23 ' A' ' 436' ' ' THR . 34.2 p -156.78 161.54 39.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 1.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -87.28 -14.12 41.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -76.97 -5.04 47.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.664 -0.414 . . . . 1.0 110.525 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 430' ' ' GLY . 75.2 p -69.17 -18.9 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.186 0.517 . . . . 1.0 109.783 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.55 -41.3 88.87 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.359 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.3 m -69.38 -43.16 74.09 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 m -66.93 -38.68 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 119.958 -0.697 . . . . 1.0 111.324 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.525 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 79.9 mt -62.51 -41.96 99.18 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.097 0.475 . . . . 1.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.04 73.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 1.0 111.96 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.05 -41.78 97.27 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.912 1.079 . . . . 1.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 440' ' ' LEU . 62.7 p-90 -69.0 -36.63 78.04 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.533 1.061 . . . . 1.0 111.802 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.402 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 5.0 p -62.59 -41.65 92.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.568 1.076 . . . . 1.0 110.106 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.35 -41.67 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.78 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.173 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.38 -39.04 93.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.607 -0.27 . . . . 1.0 110.31 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 448' ' ' ILE . 30.3 mm -61.68 -43.5 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.283 0.563 . . . . 1.0 110.18 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.26 -42.73 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.6 -43.03 98.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-O 119.747 -0.168 . . . . 1.0 111.19 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -63.46 -44.85 93.29 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.926 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 456' ' ' VAL . 3.2 mm? -63.94 -40.52 96.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.306 0.574 . . . . 1.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 19.6 m -63.13 -47.6 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.246 -0.888 . . . . 1.0 109.88 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.88 -42.7 95.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.73 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.36 79.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.377 0.608 . . . . 1.0 111.476 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 452' ' ' LEU . 62.1 t -63.06 -46.53 95.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.13 -0.941 . . . . 1.0 111.831 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.53 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.948 -0.701 . . . . 1.0 111.149 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.04 -43.8 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.602 -0.839 . . . . 1.0 110.068 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.89 -36.92 78.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.16 -42.96 99.5 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.188 -0.605 . . . . 1.0 109.707 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.95 -42.76 99.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 1.0 109.723 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.46 -46.06 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 73.3 m -72.84 -27.16 61.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.146 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.47 97.16 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.823 -0.703 . . . . 1.0 111.407 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.24 -1.35 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.71 0.291 . . . . 1.0 111.062 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -104.06 -11.23 17.48 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.602 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.96 20.6 70.03 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 50.33 -104.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.321 . . . . 1.0 110.539 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -84.08 141.31 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.586 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.04 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -67.79 134.38 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.544 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.43 144.88 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.46 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.48 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 1.0 110.572 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -75.11 145.63 42.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.7 m -130.11 152.12 49.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -61.07 -39.2 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -94.97 109.06 21.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.661 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 75.1 p -68.65 -18.34 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.479 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.4 -40.7 97.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 19.0 m -63.63 -40.19 96.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.123 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.99 -43.69 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.209 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.4 mt -61.79 -42.26 98.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.317 0.579 . . . . 1.0 110.951 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.78 76.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.395 -0.82 . . . . 1.0 112.037 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.28 -41.7 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.188 0.81 . . . . 1.0 113.188 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.597 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 61.8 p-90 -67.57 -31.45 71.52 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.479 -1.288 . . . . 1.0 110.098 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.597 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 57.8 t -61.45 -45.93 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 118.766 0.712 . . . . 1.0 109.512 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -42.06 98.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.49 89.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 443' ' ' TRP . 10.8 mp -63.91 -40.16 95.84 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.091 -0.244 . . . . 1.0 111.637 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 448' ' ' ILE . 28.8 mm -62.14 -43.98 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 119.189 -1.004 . . . . 1.0 110.454 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.08 -43.76 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.514 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.06 -43.59 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 112.653 0.612 . . . . 1.0 112.653 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -62.3 -45.63 92.39 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.92 -35.94 81.12 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.565 0.698 . . . . 1.0 112.808 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.7 m -65.44 -45.77 82.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.484 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 46.3 pt -70.47 -28.74 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 120.647 -0.421 . . . . 1.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.21 98.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.63 -0.713 . . . . 1.0 111.509 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.14 -45.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.046 -0.979 . . . . 1.0 111.932 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 457' ' ' LEU . 10.9 mp -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.498 -0.481 . . . . 1.0 111.368 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.26 -43.71 97.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.592 -0.843 . . . . 1.0 109.875 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.12 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.225 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.77 -43.65 97.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.126 -0.63 . . . . 1.0 109.746 -179.472 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.69 95.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.613 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.71 -45.44 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.232 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 84.2 m -77.57 -25.26 49.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.233 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.44 95.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt -79.34 -0.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.301 0.572 . . . . 1.0 109.742 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -97.83 -9.17 26.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.989 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.24 15.56 68.98 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -60.81 -47.28 87.05 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -73.79 134.06 43.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.221 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.95 140.2 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.346 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 60.8 66.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.561 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.57 -43.22 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.484 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.57 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.367 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.57 -44.13 97.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 1.0 110.485 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -75.79 143.01 42.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.707 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.6 t -68.19 145.29 54.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.728 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -59.75 -37.2 78.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.85 -16.97 64.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.629 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.4 m -62.44 -41.84 99.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -52.72 -45.74 67.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 1.0 111.479 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 50.6 m -63.01 -41.18 99.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.428 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.93 -43.53 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.2 mt -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.193 0.52 . . . . 1.0 111.147 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.88 75.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.653 -0.703 . . . . 1.0 112.156 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.84 -41.63 99.41 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.345 0.868 . . . . 1.0 113.345 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.595 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.6 p-90 -67.25 -30.54 70.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 118.438 -1.305 . . . . 1.0 110.332 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.595 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 62.0 t -61.83 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 118.732 0.697 . . . . 1.0 109.635 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.79 -40.42 97.28 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.32 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.75 94.02 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.168 -0.213 . . . . 1.0 110.637 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -40.15 96.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.565 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.3 -42.44 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.504 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.64 -43.26 98.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.17 -44.23 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.256 -0.578 . . . . 1.0 110.764 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -62.78 -44.35 96.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.69 -0.804 . . . . 1.0 111.325 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -41.4 96.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.192 0.52 . . . . 1.0 110.95 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.9 m -63.81 -47.48 80.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.58 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.77 -40.3 87.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.625 0.726 . . . . 1.0 110.374 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.49 89.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.07 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.44 -45.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.18 -0.918 . . . . 1.0 112.002 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.66 -43.08 99.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.994 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.57 -43.59 96.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.921 -0.712 . . . . 1.0 109.867 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.74 -37.24 79.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.304 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.974 HD13 HH21 ' A' ' 469' ' ' ARG . 0.1 OUTLIER -60.97 -43.41 98.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.87 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.43 -42.66 95.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.675 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.77 -45.51 94.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.28 -27.05 52.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.389 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.34 86.18 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.419 HG23 ' HD1' ' A' ' 466' ' ' TYR . 20.6 tt -82.0 -0.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.877 0.37 . . . . 1.0 110.664 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.419 ' HD1' HG23 ' A' ' 465' ' ' ILE . 3.1 m-85 -100.41 -1.68 35.31 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 79.7 21.69 65.8 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.144 -0.782 . . . . 1.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.21 -45.42 94.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.983 0.391 . . . . 1.0 111.411 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.974 HH21 HD13 ' A' ' 460' ' ' LEU . 94.2 mtt-85 -63.74 -38.91 92.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 1.0 112.413 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.1 mt 57.37 -114.29 0.8 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.759 0.314 . . . . 1.0 110.286 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -105.15 136.57 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.592 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.621 ' NH2' ' NH1' ' A' ' 469' ' ' ARG . 63.2 ttm-85 -128.42 133.29 48.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.224 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.447 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.88 134.2 50.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.0 110.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -101.61 138.19 38.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.648 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -34.66 76.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.471 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -108.08 142.87 37.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.67 140.9 57.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.0 p -68.41 -18.11 64.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.305 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.9 t -63.92 -41.9 97.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.187 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.68 -43.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.276 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 88.7 mt -61.82 -42.29 98.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 1.0 110.819 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.56 75.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.817 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -41.61 99.29 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.612 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 62.1 p-90 -67.67 -31.41 71.36 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 118.515 -1.274 . . . . 1.0 110.243 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.612 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 65.6 t -61.22 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 118.921 0.782 . . . . 1.0 109.331 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.08 -41.15 97.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 443' ' ' TRP . 10.6 mp -63.66 -39.54 94.59 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 1.0 111.424 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 30.9 mm -62.24 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.464 0.65 . . . . 1.0 110.255 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.29 -43.6 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.441 -0.8 . . . . 1.0 110.3 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.12 -43.89 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 121.117 -0.233 . . . . 1.0 111.545 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -59.17 -45.73 90.26 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 119.776 -0.77 . . . . 1.0 111.699 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 456' ' ' VAL . 4.0 mm? -67.23 -36.3 81.37 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.489 0.661 . . . . 1.0 111.27 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 46.1 m -67.81 -49.98 59.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 118.813 -1.155 . . . . 1.0 111.592 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.3 tt -69.22 -38.8 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.51 81.17 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.493 0.663 . . . . 1.0 110.9 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 452' ' ' LEU . 66.0 t -63.72 -44.63 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.613 -0.435 . . . . 1.0 111.415 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.18 -42.78 99.44 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.119 -1.033 . . . . 1.0 109.802 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.97 80.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.987 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.44 -42.68 99.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.618 . . . . 1.0 109.806 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.94 -42.62 99.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.234 -0.893 . . . . 1.0 109.935 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.03 -46.17 90.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.98 -27.3 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.932 0.396 . . . . 1.0 109.976 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.5 91.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.71 -1.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 1.0 110.701 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.95 -5.6 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.789 -0.449 . . . . 1.0 109.789 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 95.25 -1.71 64.91 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.534 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 81.2 t80 57.97 152.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.299 . . . . 1.0 110.688 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.534 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -74.75 144.51 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.738 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.27 131.11 55.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.36 -39.63 94.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.481 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -101.6 136.77 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.544 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.73 144.42 50.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.41 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.2 t -139.09 145.0 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.896 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -111.03 144.46 40.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -92.16 -0.26 57.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 1.0 110.428 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.6 m -65.67 -20.46 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.36 -42.22 96.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.8 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -64.36 -42.15 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.921 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.95 -43.69 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.989 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 tt -61.36 -43.5 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 1.0 111.173 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.18 82.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.406 -0.815 . . . . 1.0 112.26 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.84 -41.98 97.7 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.406 0.891 . . . . 1.0 113.406 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.553 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 59.3 p-90 -68.44 -31.26 70.44 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 118.283 -1.367 . . . . 1.0 110.21 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.553 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 64.7 t -61.61 -45.49 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 118.692 0.678 . . . . 1.0 109.406 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.15 -41.82 98.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.671 -0.492 . . . . 1.0 109.671 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.41 93.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.015 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.72 -38.67 91.98 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.599 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.88 -44.48 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.574 0.702 . . . . 1.0 110.007 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.79 -39.34 85.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.944 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.61 -44.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.929 -0.308 . . . . 1.0 111.079 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -62.01 -44.79 95.98 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.723 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 456' ' ' VAL . 89.9 mt -65.03 -41.69 95.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.309 0.576 . . . . 1.0 111.745 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 20.2 m -64.52 -50.19 68.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.29 -0.868 . . . . 1.0 111.713 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 455' ' ' ALA . 20.6 tt -69.37 -39.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.986 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 454' ' ' ILE . . . -57.67 -40.7 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.529 0.68 . . . . 1.0 110.52 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 452' ' ' LEU . 69.2 t -63.07 -45.02 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.718 -1.128 . . . . 1.0 111.264 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.509 -0.476 . . . . 1.0 111.323 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.34 -42.87 98.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.146 -1.022 . . . . 1.0 110.101 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.43 80.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.162 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.48 -42.77 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 1.0 109.793 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.27 -42.71 99.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.978 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . 0.4 ' CZ ' ' CE1' ' A' ' 466' ' ' TYR . 88.2 t80 -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.1 -26.98 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.895 0.379 . . . . 1.0 110.049 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.21 -40.69 92.39 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.7 tt -89.0 -1.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.672 0.272 . . . . 1.0 110.951 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.4 ' CE1' ' CZ ' ' A' ' 462' ' ' PHE . 1.0 OUTLIER -102.96 -3.08 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 1.0 110.215 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 81.01 18.92 68.49 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 86.6 t80 57.64 156.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.721 0.296 . . . . 1.0 110.442 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.513 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 90.2 mtm180 -72.68 144.03 47.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.801 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.23 132.71 53.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.452 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.36 -39.33 93.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.44 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.56 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.528 -1.429 . . . . 1.0 109.528 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.89 145.03 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 1.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.93 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.4 m -72.13 148.52 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.567 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -98.11 144.14 27.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.108 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.64 140.89 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.384 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 72.3 p -67.8 -19.12 65.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.7 -42.02 95.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 39.1 t -64.38 -42.3 96.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.954 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.08 -43.09 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.767 HD12 ' HE1' ' A' ' 443' ' ' TRP . 13.4 tp -60.8 -42.26 97.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.491 0.662 . . . . 1.0 109.671 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 444' ' ' VAL . . . -61.25 -35.69 77.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.545 -0.752 . . . . 1.0 112.759 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -64.28 -42.0 96.64 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.115 1.154 . . . . 1.0 114.115 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.767 ' HE1' HD12 ' A' ' 440' ' ' LEU . 62.5 p-90 -67.62 -37.73 82.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 118.951 -1.1 . . . . 1.0 111.325 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 441' ' ' ALA . 5.3 p -61.77 -41.41 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 119.496 1.044 . . . . 1.0 110.265 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.09 -41.79 98.55 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.49 95.28 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 -38.78 92.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 448' ' ' ILE . 30.4 mm -62.56 -43.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.423 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.05 -42.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.303 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.01 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.941 -0.474 . . . . 1.0 111.958 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.07 -46.36 89.44 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.961 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 456' ' ' VAL . 10.4 mp -66.17 -39.32 89.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.109 0.481 . . . . 1.0 112.164 178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 97.6 m -64.75 -49.33 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.61 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.12 -38.33 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.881 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.69 76.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.355 0.598 . . . . 1.0 110.895 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 452' ' ' LEU . 64.9 t -62.7 -45.56 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.122 -0.944 . . . . 1.0 111.527 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.615 HD13 HD23 ' A' ' 460' ' ' LEU . 3.5 mm? -62.27 -42.98 99.81 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.511 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.13 -43.01 99.55 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.284 -0.967 . . . . 1.0 110.082 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.07 79.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.963 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -60.5 -43.45 97.02 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.304 -0.558 . . . . 1.0 109.792 -179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -63.58 -42.42 98.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.52 -0.763 . . . . 1.0 109.734 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.3 -45.35 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.092 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.1 m -76.52 -24.54 53.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.34 95.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.0 tt -79.67 -0.67 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.373 0.606 . . . . 1.0 109.846 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -97.13 -7.63 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.827 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.63 62.83 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.473 ' CE2' ' O ' ' A' ' 469' ' ' ARG . 89.9 t80 -69.65 132.92 46.94 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.44 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.473 ' O ' ' CE2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -76.51 145.02 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 470' ' ' LEU . 4.0 mm? -101.67 129.99 47.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.414 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -84.06 142.48 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.583 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -125.06 132.61 53.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.297 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.56 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 N-CA-C 109.685 -1.366 . . . . 1.0 109.685 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.23 -42.86 96.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.487 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.14 -41.63 97.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.559 -0.456 . . . . 1.0 109.803 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.9 t -70.04 144.48 52.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.992 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . 0.481 ' HB3' HG23 ' A' ' 436' ' ' THR . 98.2 m95 -59.29 -39.25 82.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.131 179.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 56.81 36.62 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.191 179.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 434' ' ' TRP . 39.5 p -64.88 -18.11 64.89 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.86 -39.85 95.68 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.478 -0.489 . . . . 1.0 109.791 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 73.6 p -65.58 -35.02 79.62 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.12 -43.17 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.178 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.795 HD12 ' HE1' ' A' ' 443' ' ' TRP . 55.6 tp -60.76 -43.86 97.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.485 0.66 . . . . 1.0 110.121 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.19 97.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.606 -1.179 . . . . 1.0 112.385 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.2 -43.73 85.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.511 0.93 . . . . 1.0 113.511 -177.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.795 ' HE1' HD12 ' A' ' 440' ' ' LEU . 13.6 p-90 -72.31 -35.62 68.69 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 118.958 -1.097 . . . . 1.0 111.956 -178.208 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.75 -40.43 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.937 1.244 . . . . 1.0 109.404 178.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -41.28 98.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.237 178.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.54 97.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.288 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.47 -41.12 98.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.06 178.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.8 -43.97 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.003 -179.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 453' ' ' THR . 76.1 t -63.12 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 1.0 112.695 -178.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 38.9 pt -64.62 -42.12 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.332 -177.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -60.27 -44.69 95.11 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.01 -40.61 98.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 1.0 110.883 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 449' ' ' VAL . 54.5 p -64.16 -44.81 90.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 1.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.03 -42.93 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.267 -0.879 . . . . 1.0 111.248 179.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.89 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 1.0 111.574 -178.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.66 -46.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 1.0 111.797 -178.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.505 HD13 HD23 ' A' ' 460' ' ' LEU . 3.0 mm? -62.94 -42.52 99.84 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.846 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.9 -44.19 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.432 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.21 78.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.198 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 460' ' ' LEU . 0.1 OUTLIER -61.15 -42.78 99.16 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.503 0.668 . . . . 1.0 109.897 -179.493 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.49 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.015 -0.993 . . . . 1.0 108.95 178.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 91.5 t80 -59.82 -46.18 90.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.256 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 468' ' ' TYR . 73.1 m -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 1.0 110.543 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -66.09 -38.62 94.15 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.871 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.6 tt -87.97 -0.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 1.0 110.402 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 462' ' ' PHE . 3.8 m-85 -99.51 -0.34 40.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.348 -0.982 . . . . 1.0 108.348 176.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 92.48 8.07 62.85 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.987 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 463' ' ' CYS . 97.4 m-85 -116.39 135.89 53.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.636 0.218 . . . . 1.0 110.669 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -129.16 143.84 51.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.225 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.55 -42.76 98.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -128.23 143.61 51.05 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 110.814 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 54.88 78.33 0.18 Allowed 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.996 -179.894 . . . . . . . . 0 0 . 1 stop_ save_